Cas no 1060805-95-9 (4-chloro-6-methylpyridine-3-carboxylic acid)
4-chloro-6-methylpyridine-3-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-chloro-6-methyl-3-Pyridinecarboxylic acid
- 4-Chloro-6-methylnicotinic acid
- 4-Chloro-6-methyl-nicotinic acid
- 4-chloro-6-methylpyridine-3-carboxylic acid
- 4-Chloro-6-methylnicotinicAcid
- SB10543
- NE51813
- PB14950
- SY024330
- ST2411337
- AB0053600
- V2042
- CS-W005731
- Z1198330340
- AMY31335
- DB-094831
- DS-11033
- EN300-106073
- MFCD11520850
- 1060805-95-9
- SCHEMBL1105936
- AKOS006323471
- DTXSID70671983
-
- MDL: MFCD11520850
- Inchi: 1S/C7H6ClNO2/c1-4-2-6(8)5(3-9-4)7(10)11/h2-3H,1H3,(H,10,11)
- InChI Key: NPFSHIQNHIGKKL-UHFFFAOYSA-N
- SMILES: ClC1=CC(C)=NC=C1C(=O)O
Computed Properties
- Exact Mass: 171.00900
- Monoisotopic Mass: 171.009
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 163
- 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: 50.2
- XLogP3: 1.4
Experimental Properties
- Density: 1.390
- Melting Point: 162-164 oC
- PSA: 50.19000
- LogP: 1.74160
4-chloro-6-methylpyridine-3-carboxylic acid Security Information
- Signal Word:Warning
- Hazard Statement: H315-H319-H335
- Warning Statement: P261-P305+P351+P338
- Hazard Category Code: R36/37/38
- Safety Instruction: S26;S37/39
-
Hazardous Material Identification:
4-chloro-6-methylpyridine-3-carboxylic acid 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%
4-chloro-6-methylpyridine-3-carboxylic acid Pricemore >>
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| Fluorochem | 094393-250mg |
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| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-OD787-5g |
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1060805-95-9 | 98% | 5g |
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| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-OD787-1g |
4-chloro-6-methylpyridine-3-carboxylic acid |
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| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-OD787-250mg |
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119CNY | 2021-05-08 |
4-chloro-6-methylpyridine-3-carboxylic acid Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
Additional information on 4-chloro-6-methylpyridine-3-carboxylic acid
Introduction to 4-chloro-6-methylpyridine-3-carboxylic acid (CAS No. 1060805-95-9)
4-chloro-6-methylpyridine-3-carboxylic acid, identified by the Chemical Abstracts Service Number (CAS No.) 1060805-95-9, is a significant compound in the realm of organic chemistry and pharmaceutical research. This heterocyclic aromatic acid derivative has garnered attention due to its versatile structural framework, which makes it a valuable intermediate in the synthesis of various biologically active molecules. The presence of both chloro and carboxylic acid functional groups on the pyridine ring enhances its reactivity, enabling diverse chemical transformations that are pivotal in drug discovery and material science applications.
The compound's molecular structure, characterized by a pyridine core substituted with a methyl group at the 6-position and a chloro group at the 4-position, along with a carboxylic acid moiety at the 3-position, provides a unique platform for further functionalization. This structural configuration is particularly appealing in medicinal chemistry, where such derivatives are often explored for their potential pharmacological properties. The pyridine ring itself is a cornerstone in pharmaceutical design, contributing to the binding affinity and selectivity of many therapeutic agents.
In recent years, 4-chloro-6-methylpyridine-3-carboxylic acid has been extensively studied for its role in synthesizing novel compounds with therapeutic potential. Researchers have leveraged its reactivity to develop intermediates for kinase inhibitors, antiviral agents, and other therapeutic targets. The chloro substituent, in particular, serves as a versatile handle for further derivatization via nucleophilic substitution reactions, allowing chemists to introduce diverse functional groups with high precision. This flexibility has made it a staple in synthetic organic chemistry labs focused on developing new drug candidates.
One of the most compelling aspects of 4-chloro-6-methylpyridine-3-carboxylic acid is its utility in constructing complex molecular architectures. The carboxylic acid group at the 3-position can be readily converted into esters, amides, or other derivatives, expanding its utility in peptide mimetics and protein-protein interaction modulators. Additionally, the methyl group at the 6-position can be modified through various reactions, such as alkylation or oxidation, to fine-tune the electronic properties of the molecule. These modifications are crucial for optimizing binding interactions with biological targets.
The pharmaceutical industry has shown particular interest in 4-chloro-6-methylpyridine-3-carboxylic acid due to its potential as a building block for next-generation therapeutics. For instance, recent studies have highlighted its role in developing small-molecule inhibitors targeting enzymes involved in cancer metabolism. By incorporating this compound into drug candidates, researchers aim to enhance potency and selectivity while minimizing off-target effects. The compound's ability to serve as a scaffold for structure-based drug design underscores its importance in modern medicinal chemistry.
Moreover, 4-chloro-6-methylpyridine-3-carboxylic acid has found applications beyond pharmaceuticals. In materials science, it is being explored as a precursor for functional polymers and advanced materials. Its ability to undergo polymerization or copolymerization reactions makes it a promising candidate for developing novel materials with tailored properties. These applications highlight the broad utility of this compound across multiple scientific disciplines.
The synthesis of 4-chloro-6-methylpyridine-3-carboxylic acid itself is an area of active research. Chemists have developed several efficient synthetic routes to this compound, often starting from commercially available pyridine derivatives. These synthetic strategies emphasize the importance of green chemistry principles, with efforts focused on minimizing waste and improving atom economy. Such approaches align with the growing demand for sustainable chemical processes in industrial and academic settings.
In conclusion,4-chloro-6-methylpyridine-3-carboxylic acid (CAS No. 1060805-95-9) is a multifaceted compound with significant implications in pharmaceuticals and materials science. Its unique structural features and reactivity make it an indispensable tool for chemists working on drug discovery and advanced materials development. As research continues to uncover new applications for this compound,4-chloro-6-methylpyridine-3-carboxylic acid is poised to remain at the forefront of scientific innovation.
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