Cas no 552330-28-6 (3-Bromo-5-(2-pyridin-4-yl-vinyl)-pyridine)

3-Bromo-5-(2-pyridin-4-yl-vinyl)-pyridine structure
552330-28-6 structure
Product Name:3-Bromo-5-(2-pyridin-4-yl-vinyl)-pyridine
CAS No:552330-28-6
MF:C12H9BrN2
MW:261.117261648178
CID:2195263
PubChem ID:69917673
Update Time:2025-04-21

3-Bromo-5-(2-pyridin-4-yl-vinyl)-pyridine Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-5-(2-pyridin-4-yl-vinyl)-pyridine
    • DB-366175
    • 552330-28-6
    • Inchi: 1S/C12H9BrN2/c13-12-7-11(8-15-9-12)2-1-10-3-5-14-6-4-10/h1-9H
    • InChI Key: KLQMZQFGYATLCZ-UHFFFAOYSA-N
    • SMILES: BrC1=CN=CC(=C1)C=CC1C=CN=CC=1

Computed Properties

  • Exact Mass: 259.99491Da
  • Monoisotopic Mass: 259.99491Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 212
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 2.7
  • Topological Polar Surface Area: 25.8?2
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