Cas no 849069-40-5 (2-phenyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-ethanone)

2-phenyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-ethanone structure
849069-40-5 structure
Product Name:2-phenyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-ethanone
CAS No:849069-40-5
MF:C15H12N2O
MW:236.268583297729
CID:2141225
PubChem ID:43339385
Update Time:2025-04-21

2-phenyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-ethanone Chemical and Physical Properties

Names and Identifiers

    • 2-phenyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-ethanone
    • BOSXMSAVPPCUTI-UHFFFAOYSA-N
    • DB-314251
    • 849069-40-5
    • SCHEMBL4829499
    • Inchi: 1S/C15H12N2O/c18-14(9-11-5-2-1-3-6-11)13-10-17-15-12(13)7-4-8-16-15/h1-8,10H,9H2,(H,16,17)
    • InChI Key: BOSXMSAVPPCUTI-UHFFFAOYSA-N
    • SMILES: O=C(CC1C=CC=CC=1)C1=CNC2C1=CC=CN=2

Computed Properties

  • Exact Mass: 236.094963011Da
  • Monoisotopic Mass: 236.094963011Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 299
  • 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: 2.6
  • Topological Polar Surface Area: 45.8?2
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