2-bromo-6-chloro-3-methoxypyridine

• ChemBase ID: 795916
• Molecular Formular: C6H5BrClNO
• Molecular Mass: 222.467
• Monoisotopic Mass: 220.92430347
• SMILES: n1c(c(ccc1Cl)OC)Br
• Canonical SMILES: COc1ccc(nc1Br)Cl
• InChI: InChI=1S/C6H5BrClNO/c1-10-4-2-3-5(8)9-6(4)7/h2-3H,1H3
• InChIKey: FHKDVEORVOKAON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-chloro-3-methoxypyridine
• IUPAC Traditional name: 2-bromo-6-chloro-3-methoxypyridine
• Synonyms: Pyridine, 2-bromo-6-chloro-3-methoxy-

Database IDs

• CAS Number: 1256819-37-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3963985
• LogD (pH = 7.4): 2.3963985
• Log P: 2.3963985
• Molar Refractivity: 44.6954 cm^3
• Polarizability: 16.950363 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%; 98%