Cas no 1190316-61-0 (4-Methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid)

4-Methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid structure
1190316-61-0 structure
Product Name:4-Methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CAS No:1190316-61-0
MF:C9H8N2O2
MW:176.172021865845
MDL:MFCD12962756
CID:2169645
PubChem ID:53412901
Update Time:2024-11-03

4-Methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Methyl-7-azaindole-5-carboxylic acid
    • 4-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
    • SB14276
    • 1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 4-methyl-
    • AS-49454
    • SCHEMBL1082037
    • Z1255443750
    • I10572
    • DTXSID001220033
    • 4-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylicacid
    • DB-242073
    • CS-0216214
    • EN300-365665
    • MFCD12962756
    • 1190316-61-0
    • AKOS027253811
    • 4-Methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
    • MDL: MFCD12962756
    • Inchi: 1S/C9H8N2O2/c1-5-6-2-3-10-8(6)11-4-7(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
    • InChI Key: HDUOJOQMOGXEES-UHFFFAOYSA-N
    • SMILES: OC(C1=CN=C2C(C=CN2)=C1C)=O

Computed Properties

  • Exact Mass: 176.058577502g/mol
  • Monoisotopic Mass: 176.058577502g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 220
  • 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: 66
  • XLogP3: 1.2

Experimental Properties

  • Density: 1.4±0.1 g/cm3

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