Cas no 1048486-16-3 (5-(3,4-Difluorophenyl)nicotinic acid)

5-(3,4-Difluorophenyl)nicotinic acid structure
1048486-16-3 structure
Product Name:5-(3,4-Difluorophenyl)nicotinic acid
CAS No:1048486-16-3
MF:C12H7F2NO2
MW:235.186290025711
MDL:MFCD14236876
CID:1033667
PubChem ID:42656445
Update Time:2025-04-20

5-(3,4-Difluorophenyl)nicotinic acid Chemical and Physical Properties

Names and Identifiers

    • 5-(3,4-Difluorophenyl)nicotinic acid
    • 5-(3,4-difluorophenyl)pyridine-3-carboxylic acid
    • 5-(3,4-difluorophenyl)-3-pyridinecarboxylic acid
    • 5-(3,4-Difluorophenyl)-nicotinic acid
    • A801074
    • AK132298
    • KB-40715
    • AKOS010806177
    • DTXSID10655328
    • 5-(3,4-Difluorophenyl)nicotinicacid
    • 1048486-16-3
    • DB-295679
    • MFCD14236876
    • MDL: MFCD14236876
    • Inchi: 1S/C12H7F2NO2/c13-10-2-1-7(4-11(10)14)8-3-9(12(16)17)6-15-5-8/h1-6H,(H,16,17)
    • InChI Key: CBJGBHWYSDJVFN-UHFFFAOYSA-N
    • SMILES: FC1=C(C=CC(=C1)C1C=NC=C(C(=O)O)C=1)F

Computed Properties

  • Exact Mass: 235.04448479g/mol
  • Monoisotopic Mass: 235.04448479g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 288
  • 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

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