5-(bromomethyl)-2-methylpyridine hydrobromide

• ChemBase ID: 238187
• Molecular Formular: C7H9Br2N
• Molecular Mass: 266.96106
• Monoisotopic Mass: 264.91017329
• SMILES: n1cc(ccc1C)CBr.Br
• Canonical SMILES: BrCc1ccc(nc1)C.Br
• InChI: InChI=1S/C7H8BrN.BrH/c1-6-2-3-7(4-8)5-9-6;/h2-3,5H,4H2,1H3;1H
• InChIKey: HEDJZTHUYQRPRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12031798
• PubChem SID: 164294097
• PubChem CID: 22145605

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.3534011
• LogD (pH = 7.4): 1.6539032
• Log P: 1.659681
• Molar Refractivity: 41.343 cm^3
• Polarizability: 15.73257 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.926

Product Information

• Purity: 95%