4-bromo-2-chloro-5-methylpyridine

• ChemBase ID: 288319
• Molecular Formular: C6H5BrClN
• Molecular Mass: 206.4676
• Monoisotopic Mass: 204.92938885
• SMILES: Cc1cnc(Cl)cc1Br
• Canonical SMILES: Clc1ncc(c(c1)Br)C
• InChI: InChI=1S/C6H5BrClN/c1-4-3-9-6(8)2-5(4)7/h2-3H,1H3
• InChIKey: QGMCCRKFZDLEBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2-chloro-5-methylpyridine
• IUPAC Traditional name: 4-bromo-2-chloro-5-methylpyridine
• Synonyms: 4-Bromo-2-chloro-5-methylpyridine

Database IDs

• CAS Number: 867279-13-8
• PubChem SID: 180673850
• PubChem CID: 53439918

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.861965
• LogD (pH = 7.4): 2.8619692
• Log P: 2.8619692
• Molar Refractivity: 42.4312 cm^3
• Polarizability: 16.05477 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%