2-(1-bromoethyl)pyridine hydrobromide

• ChemBase ID: 263620
• Molecular Formular: C7H9Br2N
• Molecular Mass: 266.96106
• Monoisotopic Mass: 264.91017329
• SMILES: n1c(C(Br)C)cccc1.Br
• Canonical SMILES: CC(c1ccccn1)Br.Br
• InChI: InChI=1S/C7H8BrN.BrH/c1-6(8)7-4-2-3-5-9-7;/h2-6H,1H3;1H
• InChIKey: XSWHZNPSTJEYRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-bromoethyl)pyridine hydrobromide
• IUPAC Traditional name: 2-(1-bromoethyl)pyridine hydrobromide
• Synonyms: 2-(1-bromoethyl)pyridine hydrobromide

Database IDs

• MDL Number: MFCD08087831
• PubChem SID: 164319530
• PubChem CID: 17078904

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.159159
• LogD (pH = 7.4): 2.1782968
• Log P: 2.178547
• Molar Refractivity: 40.7232 cm^3
• Polarizability: 15.805003 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 112 - 114°C
• Hydrophobicity(logP): 1.956

Product Information

• Purity: 95%