5-methyl-1-(2H5)phenyl-1,2-dihydropyridin-2-one

• ChemBase ID: 174177
• Molecular Formular: C12H11NO
• Molecular Mass: 185.22184
• Monoisotopic Mass: 185.08406398
• SMILES: c1(ccccc1)n1c(=O)ccc(c1)C
• Canonical SMILES: Cc1ccc(=O)n(c1)c1ccccc1
• InChI: InChI=1S/C12H11NO/c1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11/h2-9H,1H3
• InChIKey: ISWRGOKTTBVCFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-1-(^2H₅)phenyl-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 5-methyl-1-(^2H₅)phenylpyridin-2-one
• Synonyms: Pirfenidone-d5; 5-Methyl-N-phenyl-2-1H-pyridone-d5 ( Pirfenidone-d5 )

Database IDs

• CAS Number: 1020719-62-3
• PubChem SID: 164230087
• PubChem CID: 71434117

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1418576
• LogD (pH = 7.4): 2.1418576
• Log P: 2.1418576
• Molar Refractivity: 57.0016 cm^3
• Polarizability: 21.396738 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Chloroform; Ethanol; Ethyl Acetate; Methanol
• Apperance: Off-White Solid
• Melting Point: 104-106°C

Safety Information

• Storage Condition: -20°C Freezer

DETAILS

Toronto Research Chemicals - M325898

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