Cas no 100933-54-8 (2-Bromo-4-butylpyridine)

2-Bromo-4-butylpyridine structure
2-Bromo-4-butylpyridine structure
Product Name:2-Bromo-4-butylpyridine
CAS No:100933-54-8
MF:C9H12BrN
MW:214.102281570435
CID:2866724
PubChem ID:13452229
Update Time:2025-04-21

2-Bromo-4-butylpyridine Chemical and Physical Properties

Names and Identifiers

    • 100933-54-8
    • SCHEMBL3129833
    • 2-bromo-4-butylpyridine
    • DB-409259
    • 2-Bromo-4-butylpyridine
    • Inchi: 1S/C9H12BrN/c1-2-3-4-8-5-6-11-9(10)7-8/h5-7H,2-4H2,1H3
    • InChI Key: AKLZKZDFOCPCGX-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C=CN=1)CCCC

Computed Properties

  • Exact Mass: 213.01531Da
  • Monoisotopic Mass: 213.01531Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 106
  • 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: 3.8
  • Topological Polar Surface Area: 12.9?2
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