Cas no 936243-74-2 (1H-Pyrrolo[2,3-b]pyridine, 5-chloro-2-ethyl-)

1H-Pyrrolo[2,3-b]pyridine, 5-chloro-2-ethyl- structure
936243-74-2 structure
Product Name:1H-Pyrrolo[2,3-b]pyridine, 5-chloro-2-ethyl-
CAS No:936243-74-2
MF:C9H9ClN2
MW:180.634160757065
CID:835088
PubChem ID:73013547
Update Time:2025-04-19

1H-Pyrrolo[2,3-b]pyridine, 5-chloro-2-ethyl- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrolo[2,3-b]pyridine, 5-chloro-2-ethyl-
    • 5-Chloro-2-ethyl-1H-pyrrolo[2,3-b]pyridine
    • 936243-74-2
    • Inchi: 1S/C9H9ClN2/c1-2-8-4-6-3-7(10)5-11-9(6)12-8/h3-5H,2H2,1H3,(H,11,12)
    • InChI Key: SWKVJQITAIBEHV-UHFFFAOYSA-N
    • SMILES: ClC1=CN=C2C(=C1)C=C(CC)N2

Computed Properties

  • Exact Mass: 180.0454260g/mol
  • Monoisotopic Mass: 180.0454260g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 163
  • 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: 2.8
  • Topological Polar Surface Area: 28.7?2
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