Cas no 111451-29-7 (2-Pyridinamine,3,5-dimethoxy-6-nitro-)

2-Pyridinamine,3,5-dimethoxy-6-nitro- structure
111451-29-7 structure
Product Name:2-Pyridinamine,3,5-dimethoxy-6-nitro-
CAS No:111451-29-7
MF:C7H9N3O4
MW:199.164061307907
CID:129264
PubChem ID:20157131
Update Time:2025-04-18

2-Pyridinamine,3,5-dimethoxy-6-nitro- Chemical and Physical Properties

Names and Identifiers

    • 2-Pyridinamine,3,5-dimethoxy-6-nitro-
    • 2-Pyridinamine,3,5-dimethoxy-6-nitro-(9CI)
    • 3,5-Dimethoxy-6-nitropyridin-2-amine
    • 111451-29-7
    • SCHEMBL10778082
    • Inchi: 1S/C7H9N3O4/c1-13-4-3-5(14-2)7(10(11)12)9-6(4)8/h3H,1-2H3,(H2,8,9)
    • InChI Key: AIRWTDWKTMRXSP-UHFFFAOYSA-N
    • SMILES: O(C)C1C([N+](=O)[O-])=NC(=C(C=1)OC)N

Computed Properties

  • Exact Mass: 199.05937
  • Monoisotopic Mass: 199.059
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 208
  • 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
  • Topological Polar Surface Area: 103A^2
  • XLogP3: 0.6

Experimental Properties

  • PSA: 103.19
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