Cas no 1000541-97-8 (2-(3-Fluoropyridin-4-yl)acetonitrile)

2-(3-Fluoropyridin-4-yl)acetonitrile structure
1000541-97-8 structure
Product Name:2-(3-Fluoropyridin-4-yl)acetonitrile
CAS No:1000541-97-8
MF:C7H5FN2
MW:136.126404523849
MDL:MFCD09924053
CID:2622818
PubChem ID:53429063
Update Time:2025-08-03

2-(3-Fluoropyridin-4-yl)acetonitrile Chemical and Physical Properties

Names and Identifiers

    • (3-Fluoro-pyridin-4-yl)-acetonitrile
    • 3-Fluoropyridine-4-acetonitrile
    • 1000541-97-8
    • DTXSID00700038
    • (3-Fluoropyridin-4-yl)acetonitrile
    • AKOS006310303
    • 4-Pyridineacetonitrile, 3-fluoro-
    • 2-(3-Fluoropyridin-4-yl)acetonitrile
    • MDL: MFCD09924053
    • Inchi: 1S/C7H5FN2/c8-7-5-10-4-2-6(7)1-3-9/h2,4-5H,1H2
    • InChI Key: JUKNSARUDZZIBT-UHFFFAOYSA-N
    • SMILES: FC1C=NC=CC=1CC#N

Computed Properties

  • Exact Mass: 136.043676g/mol
  • Monoisotopic Mass: 136.043676g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 149
  • 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
  • Molecular Weight: 136.13g/mol
  • XLogP3: 0.6
  • Topological Polar Surface Area: 36.7?2

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