3-bromo-6-chloro-2-methoxypyridine

• ChemBase ID: 290624
• Molecular Formular: C6H5BrClNO
• Molecular Mass: 222.467
• Monoisotopic Mass: 220.92430347
• SMILES: COc1nc(Cl)ccc1Br
• Canonical SMILES: COc1nc(Cl)ccc1Br
• InChI: InChI=1S/C6H5BrClNO/c1-10-6-4(7)2-3-5(8)9-6/h2-3H,1H3
• InChIKey: NPCVTFQTUUYXQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-6-chloro-2-methoxypyridine
• IUPAC Traditional name: 3-bromo-6-chloro-2-methoxypyridine
• Synonyms: 3-Bromo-6-chloro-2-methoxypyridine

Database IDs

• CAS Number: 1211526-62-3
• PubChem SID: 180676155
• PubChem CID: 53217454

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.785334
• LogD (pH = 7.4): 2.785334
• Log P: 2.785334
• Molar Refractivity: 44.1667 cm^3
• Polarizability: 16.912203 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%