Cas no 858117-68-7 (Methanone, (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)(3-fluorophenyl)-)

Methanone, (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)(3-fluorophenyl)- structure
858117-68-7 structure
Product Name:Methanone, (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)(3-fluorophenyl)-
CAS No:858117-68-7
MF:C14H8BrFN2O
MW:319.128525733948
CID:663261
PubChem ID:11771540
Update Time:2025-04-19

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

Names and Identifiers

    • Methanone, (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)(3-fluorophenyl)-
    • (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-fluorophenyl)methanone
    • SCHEMBL858197
    • 858117-68-7
    • DTXSID70472275
    • Inchi: 1S/C14H8BrFN2O/c15-9-5-11-12(7-18-14(11)17-6-9)13(19)8-2-1-3-10(16)4-8/h1-7H,(H,17,18)
    • InChI Key: PBFOVBHCSUWFEN-UHFFFAOYSA-N
    • SMILES: BrC1=CN=C2C(=C1)C(C(C1C=CC=C(C=1)F)=O)=CN2

Computed Properties

  • Exact Mass: 317.98040g/mol
  • Monoisotopic Mass: 317.98040g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 354
  • 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: 3.4
  • Topological Polar Surface Area: 45.8?2
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