2-bromo-4-chloro-6-methoxypyridine

• ChemBase ID: 814174
• Molecular Formular: C6H5BrClNO
• Molecular Mass: 222.467
• Monoisotopic Mass: 220.92430347
• SMILES: n1c(cc(cc1OC)Cl)Br
• Canonical SMILES: COc1cc(Cl)cc(n1)Br
• InChI: InChI=1S/C6H5BrClNO/c1-10-6-3-4(8)2-5(7)9-6/h2-3H,1H3
• InChIKey: LZKBAUIQDZPBGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1196154-35-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.770679
• LogD (pH = 7.4): 2.770679
• Log P: 2.770679
• Molar Refractivity: 43.9476 cm^3
• Polarizability: 16.902311 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%