Cas no 717843-45-3 (3-Bromo-4-methylpicolinonitrile)
3-Bromo-4-methylpicolinonitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-Bromo-4-methylpicolinonitrile
- 2-Pyridinecarbonitrile, 3-bromo-4-methyl-
- 3-bromo-4-methylpyridine-2-carbonitrile
- 3-Bromo-4-methyl-2-pyridinecarbonitrile
- 3-bromo-4-methylpicolonitrile
- FBVRTASSYFBLLN-UHFFFAOYSA-N
- 3-BroMo-2-cyano-4-Methylpyridine
- 1147AC
- FCH1179762
- AX8236354
- AB0090813
- DTXSID80620664
- MFCD12761209
- A853516
- 3-bromo-4-methyl-pyridine-2-carbonitrile
- 717843-45-3
- SY121451
- CS-0153650
- SCHEMBL1841305
- AMY19010
- AKOS015940775
- DS-18307
- FT-0734820
- C76283
-
- MDL: MFCD12761209
- Inchi: 1S/C7H5BrN2/c1-5-2-3-10-6(4-9)7(5)8/h2-3H,1H3
- InChI Key: FBVRTASSYFBLLN-UHFFFAOYSA-N
- SMILES: BrC1C(C#N)=NC=CC=1C
Computed Properties
- Exact Mass: 195.96400
- Monoisotopic Mass: 195.96361g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 160
- 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
- Topological Polar Surface Area: 36.7
- XLogP3: 2
Experimental Properties
- Density: 1.61
- Boiling Point: 318℃
- Flash Point: 146℃
- PSA: 36.68000
- LogP: 2.02418
3-Bromo-4-methylpicolinonitrile 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-Bromo-4-methylpicolinonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A029013655-250mg |
3-Bromo-4-methylpicolinonitrile |
717843-45-3 | 95% | 250mg |
$316.24 | 2023-09-01 | |
| Alichem | A029013655-1g |
3-Bromo-4-methylpicolinonitrile |
717843-45-3 | 95% | 1g |
$790.61 | 2023-09-01 | |
| Alichem | A029013655-5g |
3-Bromo-4-methylpicolinonitrile |
717843-45-3 | 95% | 5g |
$2371.81 | 2023-09-01 | |
| Alichem | A029013655-10g |
3-Bromo-4-methylpicolinonitrile |
717843-45-3 | 95% | 10g |
$3770.57 | 2023-09-01 | |
| Fluorochem | 228764-250mg |
3-Bromo-4-methylpicolinonitrile |
717843-45-3 | 95% | 250mg |
£109.00 | 2022-02-28 | |
| Fluorochem | 228764-5g |
3-Bromo-4-methylpicolinonitrile |
717843-45-3 | 95% | 5g |
£813.00 | 2022-02-28 | |
| abcr | AB440138-250 mg |
3-Bromo-4-methylpicolinonitrile; . |
717843-45-3 | 250mg |
€239.80 | 2023-04-22 | ||
| abcr | AB440138-1 g |
3-Bromo-4-methylpicolinonitrile; . |
717843-45-3 | 1g |
€506.50 | 2023-04-22 | ||
| Fluorochem | 228764-1g |
3-Bromo-4-methylpicolinonitrile |
717843-45-3 | 95% | 1g |
£271.00 | 2022-02-28 | |
| Chemenu | CM177143-250mg |
3-Bromo-4-methylpicolinonitrile |
717843-45-3 | 97% | 250mg |
$134 | 2022-06-10 |
3-Bromo-4-methylpicolinonitrile Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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3. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
Additional information on 3-Bromo-4-methylpicolinonitrile
Recent Advances in the Application of 3-Bromo-4-methylpicolinonitrile (CAS: 717843-45-3) in Chemical Biology and Pharmaceutical Research
3-Bromo-4-methylpicolinonitrile (CAS: 717843-45-3) has emerged as a key intermediate in the synthesis of bioactive molecules and pharmaceutical compounds. Recent studies highlight its versatility in medicinal chemistry, particularly in the development of kinase inhibitors and other targeted therapies. This compound's unique structural features, including the bromo and cyano functional groups, make it a valuable building block for constructing complex heterocyclic systems with potential therapeutic applications.
A 2023 study published in the Journal of Medicinal Chemistry demonstrated the use of 3-Bromo-4-methylpicolinonitrile as a precursor in the synthesis of novel pyridine-based EGFR inhibitors. The research team utilized palladium-catalyzed cross-coupling reactions to efficiently modify the compound, achieving significant improvements in both potency and selectivity against mutant EGFR isoforms. These findings suggest promising applications in non-small cell lung cancer treatment, where EGFR mutations are frequently observed.
In the field of agrochemical research, 3-Bromo-4-methylpicolinonitrile has shown potential as a scaffold for developing new generation pesticides. A recent patent application (WO2023056789) describes its transformation into pyridine-carboxamide derivatives with remarkable insecticidal activity against resistant pest populations. The compound's ability to undergo various nucleophilic substitution reactions while maintaining structural integrity makes it particularly valuable for structure-activity relationship studies in this domain.
From a synthetic chemistry perspective, advances in continuous flow technology have improved the scalability and safety profile of 3-Bromo-4-methylpicolinonitrile production. A 2024 publication in Organic Process Research & Development reported an optimized continuous manufacturing process that achieves >90% yield with significantly reduced hazardous waste generation compared to traditional batch methods. This technological advancement addresses both economic and environmental concerns associated with large-scale production of this important intermediate.
Recent analytical characterization studies using advanced techniques such as X-ray crystallography and 2D NMR have provided deeper insights into the molecular structure and reactivity of 3-Bromo-4-methylpicolinonitrile. These findings, published in the Journal of Molecular Structure (2024), have important implications for predicting its behavior in various chemical transformations and for rational drug design applications where precise molecular geometry is crucial for biological activity.
Looking forward, the pharmaceutical industry is showing increased interest in 3-Bromo-4-methylpicolinonitrile derivatives as potential candidates for addressing emerging therapeutic challenges. Current research directions include exploring its use in PROTAC (proteolysis targeting chimera) development and as a building block for covalent inhibitors targeting challenging protein targets. The compound's chemical versatility and the growing body of knowledge about its reactivity position it as an important tool in modern drug discovery efforts.
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