Cas no 87849-10-3 (Methanone, (6-bromo-2-pyridinyl)[4-(trifluoromethyl)phenyl]-)

Methanone, (6-bromo-2-pyridinyl)[4-(trifluoromethyl)phenyl]- structure
87849-10-3 structure
Product Name:Methanone, (6-bromo-2-pyridinyl)[4-(trifluoromethyl)phenyl]-
CAS No:87849-10-3
MF:C13H7BrF3NO
MW:330.099992990494
CID:651510
PubChem ID:13191796
Update Time:2025-04-19

Methanone, (6-bromo-2-pyridinyl)[4-(trifluoromethyl)phenyl]- Chemical and Physical Properties

Names and Identifiers

    • Methanone, (6-bromo-2-pyridinyl)[4-(trifluoromethyl)phenyl]-
    • (6-bromopyridin-2-yl)-[4-(trifluoromethyl)phenyl]methanone
    • 2-Bromo-6-(4-trifluoromethylbenzoyl)pyridine
    • 87849-10-3
    • (6-Bromopyridin-2-yl)[4-(trifluoromethyl)phenyl]methanone
    • SCHEMBL9828051
    • DTXSID70526080
    • Inchi: 1S/C13H7BrF3NO/c14-11-3-1-2-10(18-11)12(19)8-4-6-9(7-5-8)13(15,16)17/h1-7H
    • InChI Key: HLUHXTHDSHKVEH-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC(C(C2C=CC(C(F)(F)F)=CC=2)=O)=N1

Computed Properties

  • Exact Mass: 328.96631g/mol
  • Monoisotopic Mass: 328.96631g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 326
  • 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: 4.4
  • Topological Polar Surface Area: 30?2

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