Cas no 1214334-11-8 (5-(2-Fluorophenyl)nicotinonitrile)

5-(2-Fluorophenyl)nicotinonitrile structure
1214334-11-8 structure
Product Name:5-(2-Fluorophenyl)nicotinonitrile
CAS No:1214334-11-8
MF:C12H7FN2
MW:198.19578576088
CID:1033696
PubChem ID:46312086
Update Time:2025-04-20

5-(2-Fluorophenyl)nicotinonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-(2-Fluorophenyl)nicotinonitrile
    • 5-(2-fluorophenyl)pyridine-3-carbonitrile
    • DB-295646
    • 1214334-11-8
    • J-516113
    • DTXSID10673340
    • A1-53465
    • Inchi: 1S/C12H7FN2/c13-12-4-2-1-3-11(12)10-5-9(6-14)7-15-8-10/h1-5,7-8H
    • InChI Key: NLQFMMIMJYQRIX-UHFFFAOYSA-N
    • SMILES: FC1C=CC=CC=1C1C=NC=C(C#N)C=1

Computed Properties

  • Exact Mass: 198.05932639g/mol
  • Monoisotopic Mass: 198.05932639g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 258
  • 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: 2.3
  • Topological Polar Surface Area: 36.7?2

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