Cas no 1805401-37-9 (2-Chloro-3-cyano-6-(difluoromethyl)-4-methylpyridine)

2-Chloro-3-cyano-6-(difluoromethyl)-4-methylpyridine is a versatile pyridine derivative with significant applications in agrochemical and pharmaceutical synthesis. Its molecular structure, featuring chloro, cyano, and difluoromethyl substituents, enhances reactivity and selectivity in cross-coupling reactions, making it a valuable intermediate for constructing complex heterocyclic compounds. The presence of the difluoromethyl group improves metabolic stability and bioavailability, while the chloro and cyano groups offer multiple functionalization sites for further derivatization. This compound exhibits excellent thermal stability and solubility in common organic solvents, facilitating its use in diverse synthetic pathways. Its high purity and well-defined structure ensure reproducibility in research and industrial applications, particularly in the development of advanced crop protection agents and bioactive molecules.
2-Chloro-3-cyano-6-(difluoromethyl)-4-methylpyridine structure
1805401-37-9 structure
Product Name:2-Chloro-3-cyano-6-(difluoromethyl)-4-methylpyridine
CAS No:1805401-37-9
MF:C8H5ClF2N2
MW:202.588507413864
CID:4865052
Update Time:2025-07-02

2-Chloro-3-cyano-6-(difluoromethyl)-4-methylpyridine Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-3-cyano-6-(difluoromethyl)-4-methylpyridine
    • Inchi: 1S/C8H5ClF2N2/c1-4-2-6(8(10)11)13-7(9)5(4)3-12/h2,8H,1H3
    • InChI Key: HFXWIUWQEVFVEZ-UHFFFAOYSA-N
    • SMILES: ClC1=C(C#N)C(C)=CC(C(F)F)=N1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 225
  • XLogP3: 2.6
  • Topological Polar Surface Area: 36.7

2-Chloro-3-cyano-6-(difluoromethyl)-4-methylpyridine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A029055453-1g
2-Chloro-3-cyano-6-(difluoromethyl)-4-methylpyridine
1805401-37-9 97%
1g
$1,534.70 2022-04-01
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