4-bromo-2-chloro-6-methylpyridine

• ChemBase ID: 289104
• Molecular Formular: C6H5BrClN
• Molecular Mass: 206.4676
• Monoisotopic Mass: 204.92938885
• SMILES: Cc1cc(Br)cc(Cl)n1
• Canonical SMILES: Brc1cc(C)nc(c1)Cl
• InChI: InChI=1S/C6H5BrClN/c1-4-2-5(7)3-6(8)9-4/h2-3H,1H3
• InChIKey: VZKVJDPXLSTENW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2-chloro-6-methylpyridine
• IUPAC Traditional name: 4-bromo-2-chloro-6-methylpyridine
• Synonyms: 4-Bromo-2-chloro-6-methylpyridine

Database IDs

• CAS Number: 1206250-53-4
• PubChem SID: 180674635
• PubChem CID: 53429237

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4799092
• LogD (pH = 7.4): 2.479918
• Log P: 2.479918
• Molar Refractivity: 41.9815 cm^3
• Polarizability: 16.057022 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%