2-(bromomethyl)-6-methylpyridine hydrobromide

• ChemBase ID: 293628
• Molecular Formular: C7H9Br2N
• Molecular Mass: 266.96106
• Monoisotopic Mass: 264.91017329
• SMILES: Br.Cc1cccc(CBr)n1
• Canonical SMILES: BrCc1cccc(n1)C.Br
• InChI: InChI=1S/C7H8BrN.BrH/c1-6-3-2-4-7(5-8)9-6;/h2-4H,5H2,1H3;1H
• InChIKey: VJDWDYXOGHHILO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(bromomethyl)-6-methylpyridine hydrobromide
• IUPAC Traditional name: 2-(bromomethyl)-6-methylpyridine hydrobromide
• Synonyms: 2-(Bromomethyl)-6-methylpyridine hydrobromide

Database IDs

• CAS Number: 64114-29-0
• PubChem SID: 180679159
• PubChem CID: 23344426

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6307908
• LogD (pH = 7.4): 1.7395682
• Log P: 1.7411528
• Molar Refractivity: 40.8208 cm^3
• Polarizability: 15.734021 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%