2-(pyridin-3-yl)(2H4)pyridine

• ChemBase ID: 171828
• 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)(^2H₄)pyridine
• IUPAC Traditional name: 2-(pyridin-3-yl)(^2H₄)pyridine
• Synonyms: 2,3'-Bipyridine-3,4,5,6-d4, 2,3’-Dipyridyl-3,4,5,6-d4; Isonicoteine-3,4,5,6-d4

Database IDs

• PubChem SID: 164227738
• PubChem CID: 45039597

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: 19.595957 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ether; Ethyl Acetate; Methanol
• Apperance: Yellow Oil

Safety Information

• Storage Condition: Refrigerator