Cas no 187842-25-7 (5H-Pyrido[4,3-b]indole-3-carboxylic acid ethyl ester)

5H-Pyrido[4,3-b]indole-3-carboxylic acid ethyl ester structure
187842-25-7 structure
Product Name:5H-Pyrido[4,3-b]indole-3-carboxylic acid ethyl ester
CAS No:187842-25-7
MF:C14H12N2O2
MW:240.257283210754
CID:1108263
PubChem ID:15260368
Update Time:2025-04-20

5H-Pyrido[4,3-b]indole-3-carboxylic acid ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 5H-Pyrido[4,3-b]indole-3-carboxylic acid ethyl ester
    • 187842-25-7
    • ETHYL 5H-PYRIDO[4,3-B]INDOLE-3-CARBOXYLATE
    • DB-360530
    • Inchi: 1S/C14H12N2O2/c1-2-18-14(17)13-7-12-10(8-15-13)9-5-3-4-6-11(9)16-12/h3-8,16H,2H2,1H3
    • InChI Key: ZLGYHOPVKSCMFA-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1=CC2=C(C=N1)C1C=CC=CC=1N2)=O

Computed Properties

  • Exact Mass: 240.089877630g/mol
  • Monoisotopic Mass: 240.089877630g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 321
  • 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: 2.9
  • Topological Polar Surface Area: 55?2
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