Home > Compound List > Compound details
1020719-53-2 molecular structure
click picture or here to close

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

ChemBase ID: 171094
Molecular Formular: C12H11NO2
Molecular Mass: 201.22124
Monoisotopic Mass: 201.0789786
SMILES and InChIs

SMILES:
c1ccccc1n1c(=O)c(cc(c1)C)O
Canonical SMILES:
Cc1cc(O)c(=O)n(c1)c1ccccc1
InChI:
InChI=1S/C12H11NO2/c1-9-7-11(14)12(15)13(8-9)10-5-3-2-4-6-10/h2-8,14H,1H3
InChIKey:
YQWKULMIIVZAOS-UHFFFAOYSA-N

Cite this record

CBID:171094 http://www.chembase.cn/molecule-171094.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-hydroxy-5-methyl-1-(2H5)phenyl-1,2-dihydropyridin-2-one
IUPAC Traditional name
3-hydroxy-5-methyl-1-(2H5)phenylpyridin-2-one
Synonyms
3-Hydroxy-5-methyl-1-(phenyl-2,3,4,5,6-d5)-2(1H)-pyridinone
3-Hydroxy-5-methyl-N-phenyl-2-1H-pyridone-d5
CAS Number
1020719-53-2
PubChem SID
164227004
PubChem CID
71749256

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC H950792 external link Add to cart
PubChem 71749256 external link
Data Source Data ID Price
TRC
H950792 external link Add to cart Please log in.
Data Source Data ID
PubChem 71749256 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.084215  H Acceptors
H Donor LogD (pH = 5.5) 1.8838687 
LogD (pH = 7.4) 1.4082854  Log P 1.8950334 
Molar Refractivity 58.969 cm3 Polarizability 22.00052 Å3
Polar Surface Area 40.54 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Apperance
White Crystalline Solid expand Show data source
Melting Point
109-110°C expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - H950792 external link
A deuterated metabolite of Pirfenidone, a new drug to treat patients with kidney disease who have diabetes.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle