2-bromo-4,5-dimethylpyridine

• ChemBase ID: 802783
• Molecular Formular: C7H8BrN
• Molecular Mass: 186.04912
• Monoisotopic Mass: 184.98401126
• SMILES: n1c(cc(c(c1)C)C)Br
• Canonical SMILES: Brc1ncc(c(c1)C)C
• InChI: InChI=1S/C7H8BrN/c1-5-3-7(8)9-4-6(5)2/h3-4H,1-2H3
• InChIKey: OTVKPSUMDAFRQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 66533-31-1

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7559679
• LogD (pH = 7.4): 2.7566817
• Log P: 2.7566907
• Molar Refractivity: 42.4485 cm^3
• Polarizability: 15.806755 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%