4-(pyridine-4-carbonyl)pyridine

• ChemBase ID: 143723
• Molecular Formular: C11H8N2O
• Molecular Mass: 184.19402
• Monoisotopic Mass: 184.06366289
• SMILES: c1cnccc1C(=O)c1ccncc1
• Canonical SMILES: O=C(c1ccncc1)c1ccncc1
• InChI: InChI=1S/C11H8N2O/c14-11(9-1-5-12-6-2-9)10-3-7-13-8-4-10/h1-8H
• InChIKey: CLAOXGJAXHTMPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyridine-4-carbonyl)pyridine
• IUPAC Traditional name: 4-(pyridine-4-carbonyl)pyridine
• Synonyms: dipyridin-4-ylmethanone; Dipyridin-4-ylmethanone

Database IDs

• CAS Number: 6918-15-6
• MDL Number: MFCD00832238
• PubChem SID: 162237940
• PubChem CID: 12288815

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.9937022
• LogD (pH = 7.4): 0.9972092
• Log P: 0.997254
• Molar Refractivity: 52.3197 cm^3
• Polarizability: 20.180912 Å^3
• Polar Surface Area: 42.85 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C11H8N2O

DETAILS

Sigma Aldrich - CBR00084

Other Notes
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