6-bromo-2,3-dimethylpyridine

• ChemBase ID: 309041
• Molecular Formular: C7H8BrN
• Molecular Mass: 186.04912
• Monoisotopic Mass: 184.98401126
• SMILES: n1c(c(ccc1Br)C)C
• Canonical SMILES: Brc1ccc(c(n1)C)C
• InChI: InChI=1S/C7H8BrN/c1-5-3-4-7(8)9-6(5)2/h3-4H,1-2H3
• InChIKey: SMHBYCWIPKHNJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2,3-dimethylpyridine
• IUPAC Traditional name: 6-bromo-2,3-dimethylpyridine
• Synonyms: 6-bromo-2,3-dimethylpyridine

Database IDs

• CAS Number: 99132-28-2
• MDL Number: MFCD11869959

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3739936
• LogD (pH = 7.4): 2.3746314
• Log P: 2.3746395
• Molar Refractivity: 41.9988 cm^3
• Polarizability: 15.808325 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%