Cas no 172208-07-0 (2-methoxy-3,5-Pyridinedicarbonitrile)

2-methoxy-3,5-Pyridinedicarbonitrile structure
172208-07-0 structure
Product Name:2-methoxy-3,5-Pyridinedicarbonitrile
CAS No:172208-07-0
MF:C8H5N3O
MW:159.144800901413
CID:1107593
PubChem ID:84650868
Update Time:2025-04-20

2-methoxy-3,5-Pyridinedicarbonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-methoxy-3,5-Pyridinedicarbonitrile
    • 172208-07-0
    • methoxy pyridine-3,5-dicarbonitrile
    • 2-Methoxypyridine-3,5-dicarbonitrile
    • Inchi: 1S/C8H5N3O/c1-12-8-7(4-10)2-6(3-9)5-11-8/h2,5H,1H3
    • InChI Key: BTIYFDARJSXLRD-UHFFFAOYSA-N
    • SMILES: O(C)C1C(C#N)=CC(C#N)=CN=1

Computed Properties

  • Exact Mass: 159.043261791g/mol
  • Monoisotopic Mass: 159.043261791g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 246
  • 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: 0.6
  • Topological Polar Surface Area: 69.7?2
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