4-bromo-5-chloro-2-methylpyridine

• ChemBase ID: 801237
• Molecular Formular: C6H5BrClN
• Molecular Mass: 206.4676
• Monoisotopic Mass: 204.92938885
• SMILES: n1c(cc(c(c1)Cl)Br)C
• Canonical SMILES: Cc1ncc(c(c1)Br)Cl
• InChI: InChI=1S/C6H5BrClN/c1-4-2-5(7)6(8)3-9-4/h2-3H,1H3
• InChIKey: HNVMDSYZOIIFLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1211529-34-8

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.258715
• LogD (pH = 7.4): 2.259728
• Log P: 2.2597408
• Molar Refractivity: 40.9202 cm^3
• Polarizability: 16.024776 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%