3-bromo-6-chloro-2,4-dimethylpyridine

• ChemBase ID: 798232
• Molecular Formular: C7H7BrClN
• Molecular Mass: 220.49418
• Monoisotopic Mass: 218.94503891
• SMILES: n1c(cc(c(c1C)Br)C)Cl
• Canonical SMILES: Clc1cc(C)c(c(n1)C)Br
• InChI: InChI=1S/C7H7BrClN/c1-4-3-6(9)10-5(2)7(4)8/h3H,1-2H3
• InChIKey: POWYUKKERVLNDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-6-chloro-2,4-dimethylpyridine
• IUPAC Traditional name: 3-bromo-6-chloro-2,4-dimethylpyridine
• Synonyms: 5-broMo-2-chloro-4,6-diMethylpyridine

Database IDs

• CAS Number: 918145-29-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9933155
• LogD (pH = 7.4): 2.993339
• Log P: 2.9933395
• Molar Refractivity: 47.0227 cm^3
• Polarizability: 17.79164 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%