Cas no 116383-72-3 (3-Pyridinecarboxylic acid, 2,6-bis(trifluoromethyl)-)

3-Pyridinecarboxylic acid, 2,6-bis(trifluoromethyl)- structure
116383-72-3 structure
Product Name:3-Pyridinecarboxylic acid, 2,6-bis(trifluoromethyl)-
CAS No:116383-72-3
MF:C8H3F6NO2
MW:259.105343103409
CID:1205843
PubChem ID:14130495
Update Time:2025-07-29

3-Pyridinecarboxylic acid, 2,6-bis(trifluoromethyl)- Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridinecarboxylic acid, 2,6-bis(trifluoromethyl)-
    • 2,6-BIS(TRIFLUOROMETHYL)PYRIDINE-3-CARBOXYLIC ACID
    • SCHEMBL6376901
    • EN300-6487729
    • AKOS022981805
    • 2,6-bis(trifluoromethyl)nicotinic acid
    • 116383-72-3
    • Z3242306976
    • CHEMBL5016560
    • 2,6-bis(trifluoromethyl)-3-hydroxycarbonyl pyridine
    • Inchi： 1S/C8H3F6NO2/c9-7(10,11)4-2-1-3(6(16)17)5(15-4)8(12,13)14/h1-2H,(H,16,17)
    • InChI Key： VHDLZWKUPOEICN-UHFFFAOYSA-N
    • SMILES： FC(C1C(C(=O)O)=CC=C(C(F)(F)F)N=1)(F)F

Computed Properties

  • Exact Mass: 259.00679
  • Monoisotopic Mass: 259.00679731g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 299
  • 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
  • XLogP3: 2.2
  • Topological Polar Surface Area: 50.2?2

Experimental Properties

  • PSA: 50.19

3-Pyridinecarboxylic acid, 2,6-bis(trifluoromethyl)- Pricemore >>

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