3-(bromomethyl)-2-methoxypyridine

• ChemBase ID: 289544
• Molecular Formular: C7H8BrNO
• Molecular Mass: 202.04852
• Monoisotopic Mass: 200.97892588
• SMILES: COc1ncccc1CBr
• Canonical SMILES: COc1ncccc1CBr
• InChI: InChI=1S/C7H8BrNO/c1-10-7-6(5-8)3-2-4-9-7/h2-4H,5H2,1H3
• InChIKey: ZIXRHBYSNLQDQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(bromomethyl)-2-methoxypyridine
• IUPAC Traditional name: 3-(bromomethyl)-2-methoxypyridine
• Synonyms: 3-(Bromomethyl)-2-methoxypyridine

Database IDs

• CAS Number: 942060-13-1
• PubChem SID: 180675075
• PubChem CID: 57574512

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9643892
• LogD (pH = 7.4): 1.9650881
• Log P: 1.965097
• Molar Refractivity: 43.5282 cm^3
• Polarizability: 16.561396 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%