2-(2-bromoethyl)pyridine hydrobromide

• ChemBase ID: 55752
• Molecular Formular: C7H9Br2N
• Molecular Mass: 266.96106
• Monoisotopic Mass: 264.91017329
• SMILES: c1cnc(cc1)CCBr.Br
• Canonical SMILES: BrCCc1ccccn1.Br
• InChI: InChI=1S/C7H8BrN.BrH/c8-5-4-7-3-1-2-6-9-7;/h1-3,6H,4-5H2;1H
• InChIKey: SAXTXIDZMKZQMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-bromoethyl)pyridine hydrobromide
• IUPAC Traditional name: 2-(2-bromoethyl)pyridine hydrobromide
• Synonyms: 2-(2-Bromoethyl)pyridine hydrobromide

Database IDs

• CAS Number: 39232-04-7; 72996-65-7
• MDL Number: MFCD08274972
• PubChem SID: 162060515
• PubChem CID: 12913859

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5780607
• LogD (pH = 7.4): 1.8419883
• Log P: 1.8467953
• Molar Refractivity: 40.9287 cm^3
• Polarizability: 15.732883 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%