Cas no 545395-99-1 (2-bromo-4-(4-tert-butylphenyl)pyridine)

2-bromo-4-(4-tert-butylphenyl)pyridine structure
545395-99-1 structure
Product Name:2-bromo-4-(4-tert-butylphenyl)pyridine
CAS No:545395-99-1
MF:C15H16BrN
MW:290.198243141174
CID:2121868
PubChem ID:16747829
Update Time:2025-04-21

2-bromo-4-(4-tert-butylphenyl)pyridine Chemical and Physical Properties

Names and Identifiers

    • 2-bromo-4-(4-tert-butylphenyl)pyridine
    • SCHEMBL3997719
    • 4-[4-(tert-butyl)phenyl]-2-bromopyridine
    • ORMINOQCYKPFLR-UHFFFAOYSA-N
    • DA-05012
    • 545395-99-1
    • Inchi: 1S/C15H16BrN/c1-15(2,3)13-6-4-11(5-7-13)12-8-9-17-14(16)10-12/h4-10H,1-3H3
    • InChI Key: ORMINOQCYKPFLR-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C=CN=1)C1C=CC(=CC=1)C(C)(C)C

Computed Properties

  • Exact Mass: 289.04661Da
  • Monoisotopic Mass: 289.04661Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 238
  • 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: 5.2
  • Topological Polar Surface Area: 12.9?2
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