1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-4-carbonitrile

• ChemBase ID: 99552
• Molecular Formular: C12H7FN2O
• Molecular Mass: 214.1951832
• Monoisotopic Mass: 214.05424107
• SMILES: n1(c2ccc(cc2)F)c(=O)cc(cc1)C#N
• Canonical SMILES: N#Cc1ccn(c(=O)c1)c1ccc(cc1)F
• InChI: InChI=1S/C12H7FN2O/c13-10-1-3-11(4-2-10)15-6-5-9(8-14)7-12(15)16/h1-7H
• InChIKey: VKAQFJQEIZUANZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-4-carbonitrile
• IUPAC Traditional name: 1-(4-fluorophenyl)-2-oxopyridine-4-carbonitrile
• Synonyms: 4-Cyano-1,2-dihydro-1-(4-fluorophenyl)-2-oxopyridine; 1-(4-Cyano-1,2-dihydro-2-oxopyridin-1-yl)-4-fluorobenzene; 1,2-Dihydro-1-(4-fluorophenyl)-2-oxopyridine-4-carbonitrile 98%; 1-(4-Fluorophenyl)-2-oxo-1,2-dihydropyridine-4-carbonitrile

Database IDs

• CAS Number: 929000-78-2
• MDL Number: MFCD09258782
• PubChem SID: 162085815
• PubChem CID: 26986033

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7008678
• LogD (pH = 7.4): 1.7008678
• Log P: 1.7008678
• Molar Refractivity: 57.9145 cm^3
• Polarizability: 20.887774 Å^3
• Polar Surface Area: 44.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 95+%