Cas no 62315-13-3 (4-Pyridinecarboxamide, N-[2-fluoro-5-(trifluoromethyl)phenyl]-)

4-Pyridinecarboxamide, N-[2-fluoro-5-(trifluoromethyl)phenyl]- structure
62315-13-3 structure
Product Name:4-Pyridinecarboxamide, N-[2-fluoro-5-(trifluoromethyl)phenyl]-
CAS No:62315-13-3
MF:C13H8F4N2O
MW:284.209036827087
CID:449606
PubChem ID:2983238
Update Time:2025-04-19

4-Pyridinecarboxamide, N-[2-fluoro-5-(trifluoromethyl)phenyl]- Chemical and Physical Properties

Names and Identifiers

    • 4-Pyridinecarboxamide, N-[2-fluoro-5-(trifluoromethyl)phenyl]-
    • N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
    • AN-329/43341764
    • 62315-13-3
    • DTXSID90388081
    • N-[2-fluoro-5-(trifluoromethyl)phenyl]isonicotinamide
    • AKOS000499602
    • Inchi: 1S/C13H8F4N2O/c14-10-2-1-9(13(15,16)17)7-11(10)19-12(20)8-3-5-18-6-4-8/h1-7H,(H,19,20)
    • InChI Key: LIVPJLUIQXTICE-UHFFFAOYSA-N
    • SMILES: FC1C=CC(C(F)(F)F)=CC=1NC(C1C=CN=CC=1)=O

Computed Properties

  • Exact Mass: 284.05734
  • Monoisotopic Mass: 284.05727553g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 342
  • 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: 2.8
  • Topological Polar Surface Area: 42?2

Experimental Properties

  • PSA: 41.99
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