3-(Difluoromethyl)-2-pyridinecarboxylic acid

• CAS: 1256794-75-8
• Catalog Number: ACM1256794758
• Category: Pyridines
• Molecular Weight: 173.12
• Molecular Formula: C7H5F2NO2
• Synonyms: 3-(Difluoromethyl)picolinic acid
• IUPAC Name: 3-(Difluoromethyl)pyridine-2-carboxylic acid
• Canonical SMILES: C1=CC(=C(N=C1)C(=O)O)C(F)F
• InChI: InChI=1S/C7H5F2NO2/c8-6(9)4-2-1-3-10-5(4)7(11)12/h1-3,6H,(H,11,12)
• InChI Key: YSKFTQKVLHFVKA-UHFFFAOYSA-N
• Boiling Point: 319.6±42.0 °C
• Density: 1.405±0.06 g/cm3
• Complexity: 175
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Exact Mass: 173.02883473
• Heavy Atom Count: 12
• Monoisotopic Mass: 173.02883473
• Physical State: Solid
• Topological Polar Surface Area: 50.2 Ų