5-bromo-2,4-dimethylpyridine

• ChemBase ID: 289693
• Molecular Formular: C7H8BrN
• Molecular Mass: 186.04912
• Monoisotopic Mass: 184.98401126
• SMILES: Cc1cc(C)ncc1Br
• Canonical SMILES: Cc1ncc(c(c1)C)Br
• InChI: InChI=1S/C7H8BrN/c1-5-3-6(2)9-4-7(5)8/h3-4H,1-2H3
• InChIKey: SLMUXUHXAIPROA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2,4-dimethylpyridine
• IUPAC Traditional name: 5-bromo-2,4-dimethylpyridine
• Synonyms: 5-Bromo-2,4-dimethylpyridine

Database IDs

• CAS Number: 27063-92-9
• PubChem SID: 180675224
• PubChem CID: 13411100

CALCULATED PROPERTIES

• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0498688
• LogD (pH = 7.4): 2.1673734
• Log P: 2.1691177
• Molar Refractivity: 41.1566 cm^3
• Polarizability: 15.759071 Å^3
• Polar Surface Area: 12.89 Å^2

PROPERTIES

Product Information

• Purity: 95+%; 98%