3-(pyridine-3-carbonyl)pyridine

• ChemBase ID: 306481
• Molecular Formular: C11H8N2O
• Molecular Mass: 184.19402
• Monoisotopic Mass: 184.06366289
• SMILES: C(=O)(c1cnccc1)c1cnccc1
• Canonical SMILES: O=C(c1cccnc1)c1cccnc1
• InChI: InChI=1S/C11H8N2O/c14-11(9-3-1-5-12-7-9)10-4-2-6-13-8-10/h1-8H
• InChIKey: AQLPDLOXKZRZEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(pyridine-3-carbonyl)pyridine
• IUPAC Traditional name: 3-(pyridine-3-carbonyl)pyridine
• Synonyms: dipyridin-3-ylmethanone

Database IDs

• CAS Number: 35779-35-2
• MDL Number: MFCD01464076

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.9844901
• LogD (pH = 7.4): 0.99709177
• Log P: 0.997254
• Molar Refractivity: 52.3197 cm^3
• Polarizability: 20.180954 Å^3
• Polar Surface Area: 42.85 Å^2