Cas no 823217-63-6 (1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 6-chloro-5-ethoxy-, ethylester)

1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 6-chloro-5-ethoxy-, ethylester structure
823217-63-6 structure
Product Name:1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 6-chloro-5-ethoxy-, ethylester
CAS No:823217-63-6
MF:C12H13ClN2O3
MW:268.696222066879
CID:694539
PubChem ID:73013607
Update Time:2025-04-19

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

Names and Identifiers

    • 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 6-chloro-5-ethoxy-, ethylester
    • Ethyl 6-chloro-5-ethoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
    • 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 6-chloro-5-ethoxy-, ethyl ester
    • SCHEMBL5217429
    • 823217-63-6
    • 6-Chloro-5-ethoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid ethyl ester
    • 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid,6-chloro-5-ethoxy-,ethyl ester
    • VXCIWPMVRZQIBP-UHFFFAOYSA-N
    • Inchi： 1S/C12H13ClN2O3/c1-3-17-9-6-7-5-8(12(16)18-4-2)14-11(7)15-10(9)13/h5-6H,3-4H2,1-2H3,(H,14,15)
    • InChI Key： VXCIWPMVRZQIBP-UHFFFAOYSA-N
    • SMILES： ClC1=C(C=C2C=C(C(=O)OCC)NC2=N1)OCC

Computed Properties

  • Exact Mass: 268.0614700g/mol
  • Monoisotopic Mass: 268.0614700g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 303
  • 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: 64.2?2

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

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