Cas no 823217-74-9 (1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 6-chloro-5-methyl-, ethylester)

1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 6-chloro-5-methyl-, ethylester structure
823217-74-9 structure
Product Name:1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 6-chloro-5-methyl-, ethylester
CAS No:823217-74-9
MF:C11H11ClN2O2
MW:238.670241594315
CID:694536
PubChem ID:73013608
Update Time:2025-04-19

1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 6-chloro-5-methyl-, ethylester Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 6-chloro-5-methyl-, ethylester
    • Ethyl 6-chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
    • 823217-74-9
    • ROEKVUNZEMYXBF-UHFFFAOYSA-N
    • 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 6-chloro-5-methyl-, ethyl ester
    • 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid,6-chloro-5-methyl-,ethyl ester
    • SCHEMBL5218443
    • 6-Chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid ethyl ester
    • Inchi： 1S/C11H11ClN2O2/c1-3-16-11(15)8-5-7-4-6(2)9(12)14-10(7)13-8/h4-5H,3H2,1-2H3,(H,13,14)
    • InChI Key： ROEKVUNZEMYXBF-UHFFFAOYSA-N
    • SMILES： ClC1=C(C)C=C2C=C(C(=O)OCC)NC2=N1

Computed Properties

  • Exact Mass: 238.0509053g/mol
  • Monoisotopic Mass: 238.0509053g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 275
  • 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: 3.2
  • Topological Polar Surface Area: 55?2

1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 6-chloro-5-methyl-, ethylester Related Literature

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