4-bromo-2-chloro-6-methoxypyridine

• ChemBase ID: 814175
• Molecular Formular: C6H5BrClNO
• Molecular Mass: 222.467
• Monoisotopic Mass: 220.92430347
• SMILES: n1c(cc(cc1OC)Br)Cl
• Canonical SMILES: COc1cc(Br)cc(n1)Cl
• InChI: InChI=1S/C6H5BrClNO/c1-10-6-3-4(7)2-5(8)9-6/h2-3H,1H3
• InChIKey: YLNPSMOZSNHBDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1196152-02-9

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: 16.903055 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%