Cas no 1346691-60-8 (5-(4-Cyanophenyl)nicotinonitrile)

5-(4-Cyanophenyl)nicotinonitrile structure
1346691-60-8 structure
Product Name:5-(4-Cyanophenyl)nicotinonitrile
CAS No:1346691-60-8
MF:C13H7N3
MW:205.214781999588
CID:1033612
PubChem ID:71303521
Update Time:2025-04-20

5-(4-Cyanophenyl)nicotinonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-(4-Cyanophenyl)nicotinonitrile
    • 5-(4-cyanophenyl)pyridine-3-carbonitrile
    • DTXSID00744992
    • 1346691-60-8
    • Inchi: 1S/C13H7N3/c14-6-10-1-3-12(4-2-10)13-5-11(7-15)8-16-9-13/h1-5,8-9H
    • InChI Key: FZHJXZAWMQXFLR-UHFFFAOYSA-N
    • SMILES: N1C=C(C#N)C=C(C=1)C1C=CC(C#N)=CC=1

Computed Properties

  • Exact Mass: 205.063997236g/mol
  • Monoisotopic Mass: 205.063997236g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 324
  • 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: 1.9
  • Topological Polar Surface Area: 60.5?2

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