5-(Hydroxymethyl)-1-phenylpyridin-2(1H)-one

Base Information

• Chemical Name: 5-(Hydroxymethyl)-1-phenylpyridin-2(1H)-one
• CAS No.: 887406-49-7
• Molecular Formula: C12H11NO2
• Molecular Weight: 201.22100
• ChEMBL ID: CHEMBL4636538
• DSSTox Substance ID: DTXSID50475284
• Nikkaji Number: J3.279.552H
• Wikidata: Q82305638
• Mol file: 887406-49-7.mol

Synonyms:887406-49-7;5-Hydroxymethyl-N-phenyl-2-1H-pyridone;5-(Hydroxymethyl)-1-phenylpyridin-2(1H)-one;2(1H)-Pyridinone, 5-(hydroxymethyl)-1-phenyl-;5-(HYDROXYMETHYL)-1-PHENYLPYRIDIN-2-ONE;5-Hydroxypirfenidone;SCHEMBL147797;CHEMBL4636538;DTXSID50475284;AKOS030255285;AT19557;FT-0669840;FT-0669841

Chemical Property of 5-(Hydroxymethyl)-1-phenylpyridin-2(1H)-one

Chemical Property:

• Melting Point: 110-111°C
• Boiling Point: 405.6±27.0 °C(Predicted)
• PKA: 14.42±0.10(Predicted)
• PSA: 42.23000
• Density: 1.247±0.06 g/cm3(Predicted)
• LogP: 1.32980
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 201.078978594
• Heavy Atom Count: 15
• Complexity: 301

Purity/Quality:

97% ^*data from raw suppliers

5-Hydroxymethyl-N-phenyl-2-1H-pyridone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C=C(C=CC2=O)CO
• Uses: A metabolite of Pirfenidone, a new drug to treat patients with kidney disease who have diabetes A metabolite of Pirfenidone, a new drug to treat patients with kidney disease who have diabetes.