Cas no 954218-95-2 (5-methyl-1H-imidazo[4,5-b]pyridine-2-carboxylic acid)

5-methyl-1H-imidazo[4,5-b]pyridine-2-carboxylic acid structure
954218-95-2 structure
Product Name:5-methyl-1H-imidazo[4,5-b]pyridine-2-carboxylic acid
CAS No:954218-95-2
MF:C8H7N3O2
MW:177.160081148148
CID:802638
PubChem ID:22308632
Update Time:2025-04-19

5-methyl-1H-imidazo[4,5-b]pyridine-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3H-Imidazo[4,5-b]pyridine-2-carboxylicacid, 5-methyl-
    • 5-methyl-1H-imidazo[4,5-b]pyridine-2-carboxylic acid
    • 5-methyl-3H-imidazo[4,5-b]pyridine-2-carboxylic acid
    • 954218-95-2
    • DTXSID00624528
    • AKOS006328364
    • 5-methyl-3H-imidazo[4,5-b]pyridine-2-carboxylicacid
    • Inchi： 1S/C8H7N3O2/c1-4-2-3-5-6(9-4)11-7(10-5)8(12)13/h2-3H,1H3,(H,12,13)(H,9,10,11)
    • InChI Key： BQOAFXFDGSTMQK-UHFFFAOYSA-N
    • SMILES： OC(C1=NC2=C(C=CC(C)=N2)N1)=O

Computed Properties

  • Exact Mass: 177.053826475g/mol
  • Monoisotopic Mass: 177.053826475g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 221
  • 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
  • Surface Charge: 0
  • Tautomer Count: 6
  • XLogP3: 1
  • Topological Polar Surface Area: 78.9?2

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