Cas no 773884-58-5 (3H-Imidazo[4,5-b]pyridine-6-carbonitrile)

3H-Imidazo[4,5-b]pyridine-6-carbonitrile structure
773884-58-5 structure
Product Name:3H-Imidazo[4,5-b]pyridine-6-carbonitrile
CAS No:773884-58-5
MF:C7H4N4
MW:144.133460044861
CID:1040529
PubChem ID:4738550
Update Time:2025-04-20

3H-Imidazo[4,5-b]pyridine-6-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 3H-Imidazo[4,5-b]pyridine-6-carbonitrile
    • 1H-imidazo[4,5-b]pyridine-6-carbonitrile
    • MFCD06254750
    • OZYNGTUTZIFTBW-UHFFFAOYSA-N
    • SCHEMBL23832147
    • AKOS002664367
    • AS-48097
    • F17990
    • SCHEMBL5765255
    • 773884-58-5
    • DTXSID60406226
    • CS-0331087
    • DB-094294
    • Inchi: 1S/C7H4N4/c8-2-5-1-6-7(9-3-5)11-4-10-6/h1,3-4H,(H,9,10,11)
    • InChI Key: OZYNGTUTZIFTBW-UHFFFAOYSA-N
    • SMILES: N1C=NC2=C1C=C(C#N)C=N2

Computed Properties

  • Exact Mass: 144.04372
  • Monoisotopic Mass: 144.043596145g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 194
  • 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: 0.5
  • Topological Polar Surface Area: 65.4?2

Experimental Properties

  • PSA: 65.36

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