2-(pyridin-3-yl)pyridine

• ChemBase ID: 171827
• Molecular Formular: C10H8N2
• Molecular Mass: 156.18392
• Monoisotopic Mass: 156.06874827
• SMILES: n1cccc(c1)c1ccccn1
• Canonical SMILES: c1ccc(nc1)c1cccnc1
• InChI: InChI=1S/C10H8N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-8H
• InChIKey: VEKIYFGCEAJDDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-3-yl)pyridine; 3-(pyridin-2-yl)pyridine
• IUPAC Traditional name: 2,3'-bipyridine; 3-(pyridin-2-yl)pyridine
• Synonyms: 2-(pyridin-3-yl)pyridine; 2,3'-Bipyridine; 2,3’-Bipyridyl, 2,3’-Dipyridyl; Isonicoteine

Database IDs

• CAS Number: 581-50-0
• MDL Number: MFCD00006215
• PubChem SID: 164227737
• PubChem CID: 11389

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5343742
• LogD (pH = 7.4): 1.5704968
• Log P: 1.5709766
• Molar Refractivity: 46.5084 cm^3
• Polarizability: 19.573769 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate
• Apperance: Pale Yellow to Light Brown Oil
• Boiling Point: 102-104°C@0.7 torr
• Hydrophobicity(logP): 1.354

Safety Information

• Storage Condition: -20°C Freezer

Product Information

• Purity: 95%; 95+%