5-bromo-2-(pyridin-2-yl)pyridine

• ChemBase ID: 800795
• Molecular Formular: C10H7BrN2
• Molecular Mass: 235.07998
• Monoisotopic Mass: 233.97926023
• SMILES: n1c(ccc(c1)Br)c1ncccc1
• Canonical SMILES: Brc1ccc(nc1)c1ccccn1
• InChI: InChI=1S/C10H7BrN2/c11-8-4-5-10(13-7-8)9-3-1-2-6-12-9/h1-7H
• InChIKey: AWJPULCSDFBFDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-(pyridin-2-yl)pyridine
• IUPAC Traditional name: 5-bromo-2-(pyridin-2-yl)pyridine
• Synonyms: 5-bromo-2,2'-bipyridine

Database IDs

• CAS Number: 15862-19-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7242773
• LogD (pH = 7.4): 2.7255633
• Log P: 2.7255795
• Molar Refractivity: 53.7592 cm^3
• Polarizability: 22.169298 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%