2-bromo-3-chloro-5-methylpyridine

• ChemBase ID: 88765
• Molecular Formular: C6H5BrClN
• Molecular Mass: 206.4676
• Monoisotopic Mass: 204.92938885
• SMILES: n1c(c(cc(c1)C)Cl)Br
• Canonical SMILES: Cc1cnc(c(c1)Cl)Br
• InChI: InChI=1S/C6H5BrClN/c1-4-2-5(8)6(7)9-3-4/h2-3H,1H3
• InChIKey: GNNKEUJOCAJOBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-3-chloro-5-methylpyridine
• IUPAC Traditional name: 2-bromo-3-chloro-5-methylpyridine
• Synonyms: 2-Bromo-3-chloro-5-picoline; 2-Bromo-3-chloro-5-methylpyridine

Database IDs

• CAS Number: 65550-81-4
• PubChem SID: 162075673
• PubChem CID: 12630984

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8473117
• LogD (pH = 7.4): 2.8473141
• Log P: 2.8473141
• Molar Refractivity: 42.2121 cm^3
• Polarizability: 16.079945 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Store under Argon