2-bromo-4-chloro-5-methylpyridine

• ChemBase ID: 815468
• Molecular Formular: C6H5BrClN
• Molecular Mass: 206.4676
• Monoisotopic Mass: 204.92938885
• SMILES: n1c(cc(c(c1)C)Cl)Br
• Canonical SMILES: Brc1ncc(c(c1)Cl)C
• InChI: InChI=1S/C6H5BrClN/c1-4-3-9-6(7)2-5(4)8/h2-3H,1H3
• InChIKey: FHYOIILXEIWGCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1033203-40-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8473036
• LogD (pH = 7.4): 2.847314
• Log P: 2.8473141
• Molar Refractivity: 42.2121 cm^3
• Polarizability: 16.05512 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%