Cas no 1806976-42-0 (5-(Difluoromethyl)-2-fluoro-3-methylpyridine-4-carboxylic acid)

5-(Difluoromethyl)-2-fluoro-3-methylpyridine-4-carboxylic acid is a fluorinated pyridine derivative with a difluoromethyl substituent at the 5-position, a fluorine atom at the 2-position, and a methyl group at the 3-position. This compound is of interest in pharmaceutical and agrochemical research due to its unique structural features, which enhance metabolic stability and bioavailability. The presence of multiple fluorine atoms contributes to increased lipophilicity and improved binding affinity in target interactions. Its carboxylic acid functionality allows for further derivatization, making it a versatile intermediate in synthetic chemistry. The compound’s well-defined structure and high purity make it suitable for applications in drug discovery and material science.
5-(Difluoromethyl)-2-fluoro-3-methylpyridine-4-carboxylic acid structure
1806976-42-0 structure
Product Name:5-(Difluoromethyl)-2-fluoro-3-methylpyridine-4-carboxylic acid
CAS No:1806976-42-0
MF:C8H6F3NO2
MW:205.133952617645
CID:4884332
Update Time:2025-06-07

5-(Difluoromethyl)-2-fluoro-3-methylpyridine-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-(Difluoromethyl)-2-fluoro-3-methylpyridine-4-carboxylic acid
    • Inchi: 1S/C8H6F3NO2/c1-3-5(8(13)14)4(6(9)10)2-12-7(3)11/h2,6H,1H3,(H,13,14)
    • InChI Key: AAVVKQVUQXKSMU-UHFFFAOYSA-N
    • SMILES: FC(C1C=NC(=C(C)C=1C(=O)O)F)F

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 225
  • XLogP3: 1.8
  • Topological Polar Surface Area: 50.2

5-(Difluoromethyl)-2-fluoro-3-methylpyridine-4-carboxylic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A029033369-250mg
5-(Difluoromethyl)-2-fluoro-3-methylpyridine-4-carboxylic acid
1806976-42-0 95%
250mg
$1,068.20 2022-03-31
Alichem
A029033369-500mg
5-(Difluoromethyl)-2-fluoro-3-methylpyridine-4-carboxylic acid
1806976-42-0 95%
500mg
$1,685.00 2022-03-31
Alichem
A029033369-1g
5-(Difluoromethyl)-2-fluoro-3-methylpyridine-4-carboxylic acid
1806976-42-0 95%
1g
$3,126.60 2022-03-31
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