5-(bromomethyl)-2-methoxypyridine hydrobromide

• ChemBase ID: 293176
• Molecular Formular: C7H9Br2NO
• Molecular Mass: 282.96046
• Monoisotopic Mass: 280.90508791
• SMILES: COc1ncc(CBr)cc1.Br
• Canonical SMILES: BrCc1ccc(nc1)OC.Br
• InChI: InChI=1S/C7H8BrNO.BrH/c1-10-7-3-2-6(4-8)5-9-7;/h2-3,5H,4H2,1H3;1H
• InChIKey: ZNYYKLVSOUFTCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(bromomethyl)-2-methoxypyridine hydrobromide
• IUPAC Traditional name: 5-(bromomethyl)-2-methoxypyridine hydrobromide
• Synonyms: 5-(Bromomethyl)-2-methoxypyridine hydrobromide

Database IDs

• PubChem SID: 180678707
• PubChem CID: 71464193

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9644827
• LogD (pH = 7.4): 1.9650893
• Log P: 1.965097
• Molar Refractivity: 43.5282 cm^3
• Polarizability: 16.561216 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%