3-(bromomethyl)-4-methylpyridine hydrobromide

• ChemBase ID: 293342
• Molecular Formular: C7H9Br2N
• Molecular Mass: 266.96106
• Monoisotopic Mass: 264.91017329
• SMILES: Cc1c(CBr)cncc1.Br
• Canonical SMILES: BrCc1cnccc1C.Br
• InChI: InChI=1S/C7H8BrN.BrH/c1-6-2-3-9-5-7(6)4-8;/h2-3,5H,4H2,1H3;1H
• InChIKey: NIXISOGKOXZJDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(bromomethyl)-4-methylpyridine hydrobromide
• IUPAC Traditional name: 3-(bromomethyl)-4-methylpyridine hydrobromide
• Synonyms: 3-(Bromomethyl)-4-methylpyridine hydrobromide

Database IDs

• CAS Number: 1384972-83-1
• PubChem SID: 180678873
• PubChem CID: 71711095

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.722737
• LogD (pH = 7.4): 2.0350192
• Log P: 2.041732
• Molar Refractivity: 41.7927 cm^3
• Polarizability: 15.731085 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%