Cas no 1805396-04-6 (2-Chloro-5-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid)
2-Chloro-5-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid is a versatile pyridine derivative with significant utility in agrochemical and pharmaceutical synthesis. Its trifunctional structure—featuring a chloro, cyano, and difluoromethyl group—enables selective reactivity, making it a valuable intermediate for constructing complex heterocyclic compounds. The carboxylic acid moiety enhances solubility and further derivatization potential, while the electron-withdrawing substituents contribute to its stability and reactivity in nucleophilic substitution reactions. This compound is particularly useful in the development of advanced crop protection agents and bioactive molecules, where its balanced lipophilicity and functional group compatibility are advantageous. Its well-defined purity and consistent performance ensure reliable results in synthetic applications.
1805396-04-6 structure
Product Name:2-Chloro-5-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid
CAS No:1805396-04-6
MF:C8H3ClF2N2O2
MW:232.571427583694
CID:4808331
Update Time:2025-06-07
2-Chloro-5-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 2-Chloro-5-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid
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- Inchi: 1S/C8H3ClF2N2O2/c9-6-4(8(14)15)1-3(2-12)5(13-6)7(10)11/h1,7H,(H,14,15)
- InChI Key: YTUQNRSGFYKMGD-UHFFFAOYSA-N
- SMILES: ClC1=C(C(=O)O)C=C(C#N)C(C(F)F)=N1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 304
- XLogP3: 1.7
- Topological Polar Surface Area: 74
2-Chloro-5-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A029050308-1g |
2-Chloro-5-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid |
1805396-04-6 | 97% | 1g |
$1,490.00 | 2022-04-01 |
2-Chloro-5-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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