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

• ChemBase ID: 797210
• Molecular Formular: C10H7BrN2
• Molecular Mass: 235.07998
• Monoisotopic Mass: 233.97926023
• SMILES: n1c(cccc1)c1cncc(c1)Br
• Canonical SMILES: Brc1cncc(c1)c1ccccn1
• InChI: InChI=1S/C10H7BrN2/c11-9-5-8(6-12-7-9)10-3-1-2-4-13-10/h1-7H
• InChIKey: ZKOZNFNWADATLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-5-(pyridin-2-yl)pyridine
• IUPAC Traditional name: 3-bromo-5-(pyridin-2-yl)pyridine
• Synonyms: 5'-BroMo-2,3'-bipyridine

Database IDs

• CAS Number: 35989-02-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3273501
• LogD (pH = 7.4): 2.339571
• Log P: 2.3397293
• Molar Refractivity: 54.1312 cm^3
• Polarizability: 22.166096 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%