1-(4-fluorophenyl)-1,2-dihydropyridin-2-one

• ChemBase ID: 169244
• Molecular Formular: C11H8FNO
• Molecular Mass: 189.1857232
• Monoisotopic Mass: 189.0589921
• SMILES: c1c(ccc(c1)F)n1c(=O)cccc1
• Canonical SMILES: Fc1ccc(cc1)n1ccccc1=O
• InChI: InChI=1S/C11H8FNO/c12-9-4-6-10(7-5-9)13-8-2-1-3-11(13)14/h1-8H
• InChIKey: YGKMIYGRRGRFDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenyl)-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 1-(4-fluorophenyl)pyridin-2-one
• Synonyms: 1-(p-Fluorophenyl)-2-pyridone; 1-(4-Fluorophenyl)-2(1H)-pyridinone; N-(4-Fluorophenyl)pyridin-2(1H)-one

Database IDs

• CAS Number: 60532-42-5
• PubChem SID: 162263376
• PubChem CID: 11988942

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0411983
• LogD (pH = 7.4): 2.0411983
• Log P: 2.0411983
• Molar Refractivity: 52.936 cm^3
• Polarizability: 19.179203 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; DMF; Methanol
• Apperance: Off-White Solid
• Melting Point: 138-139°C

Safety Information

• Storage Condition: -20°C Freezer

DETAILS

Toronto Research Chemicals - F595810

A metabolite of Pirfenidone, a new drug to treat patients with kidney disease who have diabetes.