Cas no 89247-09-6 (3-Pyridinecarbonitrile, 6-chloro-4-iodo-5-nitro-)

3-Pyridinecarbonitrile, 6-chloro-4-iodo-5-nitro- structure
89247-09-6 structure
Product Name:3-Pyridinecarbonitrile, 6-chloro-4-iodo-5-nitro-
CAS No:89247-09-6
MF:C6HClIN3O2
MW:309.448511838913
CID:606851
PubChem ID:71323098
Update Time:2025-04-19

3-Pyridinecarbonitrile, 6-chloro-4-iodo-5-nitro- Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridinecarbonitrile, 6-chloro-4-iodo-5-nitro-
    • 6-chloro-4-iodo-5-nitropyridine-3-carbonitrile
    • 89247-09-6
    • DTXSID60752715
    • Inchi: 1S/C6HClIN3O2/c7-6-5(11(12)13)4(8)3(1-9)2-10-6/h2H
    • InChI Key: XUOZRSIIZRMMRZ-UHFFFAOYSA-N
    • SMILES: IC1C(C#N)=CN=C(C=1[N+](=O)[O-])Cl

Computed Properties

  • Exact Mass: 308.88020g/mol
  • Monoisotopic Mass: 308.88020g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 260
  • 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
  • Topological Polar Surface Area: 82.5?2
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