Cas no 20970-75-6 (3-methylpyridine-2-carbonitrile)
3-methylpyridine-2-carbonitrile Chemical and Physical Properties
Names and Identifiers
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- 2-Cyano-3-methylpyridine
- 2-CYANO-3-PICOLINE
- 3-METHYLPICOLINONITRILE
- 3-METHYL-PYRIDINE-2-CARBONITRILE
- 3-METHYL-2-PYRIDINECARBONITRILE
- 2-Cyano-3-methly pyridine
- 2-Cyano-B-picoline
- 2-Hydroxy-6-Methyl-5-nitropyridine
- 3-methylpyridine-2-carbonitrile
- 3-methyl-2-cyanopyridine
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- MDL: MFCD00190585
- Inchi: 1S/C7H6N2/c1-6-3-2-4-9-7(6)5-8/h2-4H,1H3
- InChI Key: WBXZCDIZXWDPBL-UHFFFAOYSA-N
- SMILES: N1C=CC=C(C)C=1C#N
- BRN: 112001
Computed Properties
- Exact Mass: 118.05300
- Monoisotopic Mass: 118.053
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 133
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.3
- Topological Polar Surface Area: 36.7A^2
Experimental Properties
- Color/Form: {"from":"zh","to":"en","trans_result":[{"src":"\u767d\u8272\u6676\u4f53\uff0c\u5149\u7167\u4e0b\u6613\u53d8\u8272\u3002","dst":"White crystals, easy to change color under light."},{"src":"2.\u00a0\u5bc6\u5ea6\uff08g\/mL,25\/4\u2103\uff09","dst":"2. density (g\/ml, 25\/4 \u2103)"}]}
- Density: 1.1151 (rough estimate)
- Melting Point: 84.0 to 87.0 deg-C
- Boiling Point: 142°C/38mmHg(lit.)
- Flash Point: Degrees Fahrenheit:230°F
Degrees Celsius:110°C - Refractive Index: 1.5500 (estimate)
- PSA: 36.68000
- LogP: 1.26168
- Sensitiveness: Sensitive to light
3-methylpyridine-2-carbonitrile Security Information
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Symbol:
- Prompt:dangerous
- Signal Word:Warning
- Hazard Statement: H315,H319,H335
- Warning Statement: P261,P305+P351+P338
- Hazardous Material transportation number:3439
- WGK Germany:3
- Hazard Category Code: 36/37/38
- Safety Instruction: S26-S36-S36/37
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Hazardous Material Identification:
- Packing Group:III
- Hazard Level:6.1
- Safety Term:6.1
- Packing Group:III
- Risk Phrases:R36/37/38
- HazardClass:6.1
- PackingGroup:III
- Storage Condition:Inert atmosphere,Room Temperature
3-methylpyridine-2-carbonitrile Customs Data
- HS CODE:2933399090
- Customs Data:
China Customs Code:
2933399090Overview:
2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
3-methylpyridine-2-carbonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | C1410-25g |
3-methylpyridine-2-carbonitrile |
20970-75-6 | 98.0%(GC&T) | 25g |
¥395.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | C1410-5g |
3-methylpyridine-2-carbonitrile |
20970-75-6 | 98.0%(GC&T) | 5g |
¥100.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | C150A-25g |
3-methylpyridine-2-carbonitrile |
20970-75-6 | 98% | 25g |
¥41.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | C150A-100g |
3-methylpyridine-2-carbonitrile |
20970-75-6 | 98% | 100g |
¥146.0 | 2022-05-30 | |
| Fluorochem | 019458-25g |
2-Cyano-3-methylpyridine |
20970-75-6 | 98% | 25g |
£14.00 | 2022-03-01 | |
| Fluorochem | 019458-100g |
2-Cyano-3-methylpyridine |
20970-75-6 | 98% | 100g |
£47.00 | 2022-03-01 | |
| Fluorochem | 019458-250g |
2-Cyano-3-methylpyridine |
20970-75-6 | 98% | 250g |
£89.00 | 2022-03-01 | |
| Fluorochem | 019458-500g |
2-Cyano-3-methylpyridine |
20970-75-6 | 98% | 500g |
£139.00 | 2022-03-01 | |
| Fluorochem | 019458-1g |
2-Cyano-3-methylpyridine |
20970-75-6 | 98% | 1g |
£10.00 | 2022-03-01 | |
| Ambeed | A148217-10g |
2-Cyano-3-methylpyridine |
20970-75-6 | 98% | 10g |
$10.0 | 2025-02-28 |
3-methylpyridine-2-carbonitrile Suppliers
3-methylpyridine-2-carbonitrile Related Literature
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1. Polycyclic N-heterocyclic compounds. Part 52.1 One-step syntheses of imidazo[1,5-a]pyridines, imidazo[1,5-a]quinolines and imidazo[5,1-a]isoquinolines by Vilsmeier reactions of pyridine-2-carbonitriles, quinoline-2-carbonitriles and isoquinoline-1-carbonitrilesKenji Sasaki,Akifumi Tsurumori,Takashi Hirota J. Chem. Soc. Perkin Trans. 1 1998 3851
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2. Preparation of some thiopyranopyridine derivativesKenneth Clarke,John Goulding,Richard M. Scrowston J. Chem. Soc. Perkin Trans. 1 1984 1501
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Heng Wang,Na Li,Zijia Yan,Jie Zhang,Xinhua Wan RSC Adv. 2015 5 2882
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4. 510. The synthesis and stereochemistry of quinolizidine and the monomethylquinolizidines, and of their salts and quaternary saltsT. M. Moynehan,K. Schofield,Richard A. Y. Jones,A. R. Katritzky J. Chem. Soc. 1962 2637
Additional information on 3-methylpyridine-2-carbonitrile
Introduction to 3-methylpyridine-2-carbonitrile (CAS No. 20970-75-6)
3-methylpyridine-2-carbonitrile, with the chemical formula C?H?N?, is a significant heterocyclic compound that has garnered considerable attention in the field of pharmaceutical and agrochemical research. This compound, identified by its CAS number 20970-75-6, is a derivative of pyridine and features a nitrile group at the 2-position, combined with a methyl substituent at the 3-position. Its unique structural properties make it a valuable intermediate in the synthesis of various biologically active molecules.
The utility of 3-methylpyridine-2-carbonitrile stems from its ability to serve as a precursor in the development of pharmaceutical agents. The nitrile functionality provides a versatile handle for further chemical transformations, enabling the construction of complex molecular architectures. In recent years, there has been growing interest in exploring its applications in medicinal chemistry, particularly in the design of novel drugs targeting neurological and inflammatory disorders.
Recent studies have highlighted the potential of 3-methylpyridine-2-carbonitrile in the synthesis of small-molecule inhibitors. For instance, researchers have demonstrated its role in generating pyridine-based scaffolds that exhibit inhibitory activity against enzymes involved in cancer pathways. The compound’s ability to undergo functionalization at multiple sites allows for the creation of derivatives with tailored pharmacological properties. This flexibility has made it a focal point in academic and industrial research efforts aimed at discovering next-generation therapeutic agents.
One notable area of investigation involves the use of 3-methylpyridine-2-carbonitrile in the development of antimicrobial compounds. The nitrile group can be hydrolyzed to form carboxylic acids, which can then be further modified to produce molecules with enhanced antimicrobial efficacy. Such derivatives are particularly relevant in the context of rising antibiotic resistance, where novel antimicrobial strategies are urgently needed. The structural motif present in 3-methylpyridine-2-carbonitrile has been shown to interact with bacterial targets, offering promising leads for new treatments.
The agrochemical industry has also recognized the value of 3-methylpyridine-2-carbonitrile as a building block for crop protection agents. Pyridine derivatives are well-known for their role in pesticides and herbicides, and modifications to this core structure can lead to compounds with improved environmental profiles and enhanced biological activity. Researchers have explored its incorporation into systemic insecticides and fungicides, demonstrating its potential to contribute to sustainable agricultural practices.
In terms of synthetic methodologies, 3-methylpyridine-2-carbonitrile can be prepared through various routes, including cyanoalkylation reactions and catalytic hydrogenation processes. Advances in catalytic systems have enabled more efficient and selective syntheses, reducing waste and improving yields. These developments are crucial for scaling up production while maintaining environmental responsibility.
The pharmacokinetic properties of derivatives derived from 3-methylpyridine-2-carbonitrile are another area of active research. Understanding how these compounds are absorbed, distributed, metabolized, and excreted (ADME) is essential for optimizing their therapeutic potential. Computational modeling and experimental studies have been employed to predict and validate these properties, aiding in the rational design of drug candidates.
Future directions in the study of 3-methylpyridine-2-carbonitrile may include exploring its role in photopharmacology—where light-sensitive drugs are designed to activate or deactivate at specific sites within the body. The compound’s ability to incorporate into molecular frameworks that respond to light could open new avenues for treating diseases with precision.
Moreover, green chemistry principles are increasingly being applied to the synthesis of 3-methylpyridine-2-carbonitrile, emphasizing sustainable practices such as solvent-free reactions and biocatalysis. These approaches align with global efforts to minimize the environmental impact of chemical manufacturing while maintaining high standards of product quality.
In conclusion, 3-methylpyridine-2-carbonitrile (CAS No. 20970-75-6) represents a versatile and valuable compound with broad applications across pharmaceuticals and agrochemicals. Its unique structural features enable diverse chemical modifications, making it an indispensable tool for researchers seeking to develop innovative solutions to complex biological challenges. As scientific understanding advances, the potential uses for this compound are likely to expand further, reinforcing its importance in modern chemistry.
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