3-(pyridine-2-carbonyl)pyridine

• ChemBase ID: 306477
• Molecular Formular: C11H8N2O
• Molecular Mass: 184.19402
• Monoisotopic Mass: 184.06366289
• SMILES: C(=O)(c1cnccc1)c1ncccc1
• Canonical SMILES: O=C(c1ccccn1)c1cccnc1
• InChI: InChI=1S/C11H8N2O/c14-11(9-4-3-6-12-8-9)10-5-1-2-7-13-10/h1-8H
• InChIKey: WECOCLXDGWEPGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(pyridine-2-carbonyl)pyridine
• IUPAC Traditional name: 3-(pyridine-2-carbonyl)pyridine
• Synonyms: pyridin-2-yl(pyridin-3-yl)methanone

Database IDs

• CAS Number: 56970-91-3
• MDL Number: MFCD09055145

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.377562
• LogD (pH = 7.4): 1.3830341
• Log P: 1.3831043
• Molar Refractivity: 51.9477 cm^3
• Polarizability: 20.184675 Å^3
• Polar Surface Area: 42.85 Å^2