Cas no 4350-54-3 (3-(Pyridin-3-yl)benzonitrile)

3-(Pyridin-3-yl)benzonitrile structure
3-(Pyridin-3-yl)benzonitrile structure
Product Name:3-(Pyridin-3-yl)benzonitrile
CAS No:4350-54-3
MF:C12H8N2
MW:180.205322265625
MDL:MFCD06801828
CID:1095556
PubChem ID:4133298
Update Time:2025-04-20

3-(Pyridin-3-yl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-(Pyridin-3-yl)benzonitrile
    • SCHEMBL13537172
    • 3-(3-pyridinyl )benzonitrile
    • 3-pyridin-3-ylbenzonitrile
    • 4350-54-3
    • 3-Pyridin-3-yl-benzonitrile
    • EN300-136775
    • G58759
    • 3-(3-pyridinyl)benzonitrile
    • CS-0308857
    • AKOS004114093
    • DB-347528
    • MDL: MFCD06801828
    • Inchi: 1S/C12H8N2/c13-8-10-3-1-4-11(7-10)12-5-2-6-14-9-12/h1-7,9H
    • InChI Key: OUKWFZFXMLQJGL-UHFFFAOYSA-N
    • SMILES: N1C=CC=C(C=1)C1C=CC=C(C#N)C=1

Computed Properties

  • Exact Mass: 180.06884
  • Monoisotopic Mass: 180.068748264g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 228
  • 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: 36.7?2

Experimental Properties

  • PSA: 36.68

3-(Pyridin-3-yl)benzonitrile Pricemore >>

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