Cas no 858117-40-5 (Methanone, (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl-)

Methanone, (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl- structure
858117-40-5 structure
Product Name:Methanone, (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl-
CAS No:858117-40-5
MF:C14H9BrN2O
MW:301.138062238693
CID:663289
PubChem ID:11301059
Update Time:2025-04-19

Methanone, (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl- Chemical and Physical Properties

Names and Identifiers

    • Methanone, (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl-
    • (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-phenylmethanone
    • (5-bromo-1H-pyrrolo[2,3-b]pyridine-3-yl)-phenyl-methanone
    • DTXSID70461745
    • (5-Bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)(phenyl)methanone
    • 858117-40-5
    • RVCJKCKAFYUWBZ-UHFFFAOYSA-N
    • SCHEMBL1363568
    • Inchi: 1S/C14H9BrN2O/c15-10-6-11-12(8-17-14(11)16-7-10)13(18)9-4-2-1-3-5-9/h1-8H,(H,16,17)
    • InChI Key: RVCJKCKAFYUWBZ-UHFFFAOYSA-N
    • SMILES: BrC1=CN=C2C(=C1)C(C(C1C=CC=CC=1)=O)=CN2

Computed Properties

  • Exact Mass: 299.98983g/mol
  • Monoisotopic Mass: 299.98983g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 317
  • 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: 3.3
  • Topological Polar Surface Area: 45.8?2

Methanone, (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl- Related Literature

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