2,4-bis(pyridin-3-yl)pyridine

• ChemBase ID: 175093
• Molecular Formular: C15H11N3
• Molecular Mass: 233.26794
• Monoisotopic Mass: 233.09529737
• SMILES: n1cccc(c1)c1cc(ccn1)c1cccnc1
• Canonical SMILES: c1ccc(cn1)c1ccnc(c1)c1cccnc1
• InChI: InChI=1S/C15H11N3/c1-3-13(10-16-6-1)12-5-8-18-15(9-12)14-4-2-7-17-11-14/h1-11H
• InChIKey: OILSPHJMIPYURT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-bis(pyridin-3-yl)pyridine
• IUPAC Traditional name: nicotelline
• Synonyms: Nicotelline

Database IDs

• CAS Number: 494-04-2
• PubChem SID: 164231003
• PubChem CID: 68123

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9148818
• LogD (pH = 7.4): 1.9993773
• Log P: 2.0005295
• Molar Refractivity: 69.4877 cm^3
• Polarizability: 29.71312 Å^3
• Polar Surface Area: 38.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Off-White to Light Yellow Solid
• Melting Point: 147-149°C

Safety Information

• Storage Condition: -20°C Freezer