3-(4-phenylbenzoyl)pyridine

• ChemBase ID: 244807
• Molecular Formular: C18H13NO
• Molecular Mass: 259.30192
• Monoisotopic Mass: 259.09971404
• SMILES: C(=O)(c1cnccc1)c1ccc(cc1)c1ccccc1
• Canonical SMILES: O=C(c1cccnc1)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C18H13NO/c20-18(17-7-4-12-19-13-17)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-13H
• InChIKey: DRIKHOZQBVFKPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-phenylbenzoyl)pyridine
• IUPAC Traditional name: 3-(4-phenylbenzoyl)pyridine
• Synonyms: 3-(4-phenylbenzoyl)pyridine

Database IDs

• MDL Number: MFCD13660852
• PubChem SID: 164300717
• PubChem CID: 14880885

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.855577
• LogD (pH = 7.4): 3.8620682
• Log P: 3.8621519
• Molar Refractivity: 79.6128 cm^3
• Polarizability: 32.15536 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.967

Product Information

• Purity: 95%