Cas no 889943-22-0 (1H-Pyrrolo[2,3-b]pyridine-3,5-dicarbonitrile)

1H-Pyrrolo[2,3-b]pyridine-3,5-dicarbonitrile structure
889943-22-0 structure
Product Name:1H-Pyrrolo[2,3-b]pyridine-3,5-dicarbonitrile
CAS No:889943-22-0
MF:C9H4N4
MW:168.154860496521
CID:835219
PubChem ID:71650866
Update Time:2025-04-19

1H-Pyrrolo[2,3-b]pyridine-3,5-dicarbonitrile Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrolo[2,3-b]pyridine-3,5-dicarbonitrile
    • 3,5-dicyano-7-azaindole
    • 889943-22-0
    • Inchi: 1S/C9H4N4/c10-2-6-1-8-7(3-11)5-13-9(8)12-4-6/h1,4-5H,(H,12,13)
    • InChI Key: HNJSPZXWFVTKHV-UHFFFAOYSA-N
    • SMILES: N1C=C(C#N)C2=CC(C#N)=CN=C12

Computed Properties

  • Exact Mass: 168.043596145g/mol
  • Monoisotopic Mass: 168.043596145g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 293
  • 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: 0.7
  • Topological Polar Surface Area: 76.3?2
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