4-bromo-2-(chloromethyl)-6-methoxypyridine

• ChemBase ID: 813704
• Molecular Formular: C7H7BrClNO
• Molecular Mass: 236.49358
• Monoisotopic Mass: 234.93995353
• SMILES: n1c(cc(cc1OC)Br)CCl
• Canonical SMILES: ClCc1cc(Br)cc(n1)OC
• InChI: InChI=1S/C7H7BrClNO/c1-11-7-3-5(8)2-6(4-9)10-7/h2-3H,4H2,1H3
• InChIKey: HTLSBOGKCGCGPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2-(chloromethyl)-6-methoxypyridine
• IUPAC Traditional name: 4-bromo-2-(chloromethyl)-6-methoxypyridine
• Synonyms: 4-bromo-2-(chloromethyl)-6-methoxypyridine

Database IDs

• CAS Number: 1060815-50-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6298165
• LogD (pH = 7.4): 2.629826
• Log P: 2.6298263
• Molar Refractivity: 47.6453 cm^3
• Polarizability: 18.590988 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%