Cas no 133415-03-9 (5-methyl-8-nitro-5H-Pyrido[4,3-b]indole)

5-methyl-8-nitro-5H-Pyrido[4,3-b]indole structure
133415-03-9 structure
Product Name:5-methyl-8-nitro-5H-Pyrido[4,3-b]indole
CAS No:133415-03-9
MF:C12H9N3O2
MW:227.218762159348
CID:1104886
PubChem ID:693871
Update Time:2025-04-20

5-methyl-8-nitro-5H-Pyrido[4,3-b]indole Chemical and Physical Properties

Names and Identifiers

    • 5-methyl-8-nitro-5H-Pyrido[4,3-b]indole
    • Oprea1_276770
    • STK756873
    • SR-01000517824-1
    • 133415-03-9
    • SR-01000517824
    • CHEMBL602370
    • 5-methyl-8-nitropyrido[4,3-b]indole
    • NCGC00332082-01
    • GNF-Pf-2595
    • AB01325881-03
    • AB01325881-02
    • DB-359091
    • AKOS001709841
    • Inchi: 1S/C12H9N3O2/c1-14-11-3-2-8(15(16)17)6-9(11)10-7-13-5-4-12(10)14/h2-7H,1H3
    • InChI Key: KKAZBBJRXDFIAA-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=CC2=C(C=1)C1C=NC=CC=1N2C)=O

Computed Properties

  • Exact Mass: 227.069476538g/mol
  • Monoisotopic Mass: 227.069476538g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 0
  • Complexity: 317
  • 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: 2.1
  • Topological Polar Surface Area: 63.6?2
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