2-bromo-4,6-dimethylpyridine

• ChemBase ID: 67444
• Molecular Formular: C7H8BrN
• Molecular Mass: 186.04912
• Monoisotopic Mass: 184.98401126
• SMILES: c1(cc(cc(n1)C)C)Br
• Canonical SMILES: Cc1cc(C)nc(c1)Br
• InChI: InChI=1S/C7H8BrN/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3
• InChIKey: IRTOCXBLUOPRFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-4,6-dimethylpyridine
• IUPAC Traditional name: 2-bromo-4,6-dimethylpyridine
• Synonyms: 2-Bromo-4,6-dimethylpyridine

Database IDs

• CAS Number: 4926-26-5
• MDL Number: MFCD00082591
• PubChem SID: 162033179
• PubChem CID: 14975195

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.373288
• LogD (pH = 7.4): 2.3746226
• Log P: 2.3746395
• Molar Refractivity: 41.9988 cm^3
• Polarizability: 15.807115 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%