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

• ChemBase ID: 246480
• Molecular Formular: C10H7BrN2
• Molecular Mass: 235.07998
• Monoisotopic Mass: 233.97926023
• SMILES: c1(ncccc1Br)c1ncccc1
• Canonical SMILES: Brc1cccnc1c1ccccn1
• InChI: InChI=1S/C10H7BrN2/c11-8-4-3-7-13-10(8)9-5-1-2-6-12-9/h1-7H
• InChIKey: UTBSBPGOZHRBQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-2-(pyridin-2-yl)pyridine
• IUPAC Traditional name: 3-bromo-2-(pyridin-2-yl)pyridine
• Synonyms: 3-bromo-2-(pyridin-2-yl)pyridine

Database IDs

• MDL Number: MFCD18909521
• PubChem SID: 164302390
• PubChem CID: 21885643

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7251682
• LogD (pH = 7.4): 2.7255745
• Log P: 2.7255795
• Molar Refractivity: 53.7592 cm^3
• Polarizability: 22.173973 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.178

Product Information

• Purity: 95%