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5154-01-8 molecular structure
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5-hydroxy-1,2-dihydropyridin-2-one

ChemBase ID: 289783
Molecular Formular: C5H5NO2
Molecular Mass: 111.0987
Monoisotopic Mass: 111.03202841
SMILES and InChIs

SMILES:
Oc1c[nH]c(=O)cc1
Canonical SMILES:
Oc1ccc(=O)[nH]c1
InChI:
InChI=1S/C5H5NO2/c7-4-1-2-5(8)6-3-4/h1-3,7H,(H,6,8)
InChIKey:
CHGPEDOMXOLANF-UHFFFAOYSA-N

Cite this record

CBID:289783 http://www.chembase.cn/molecule-289783.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-hydroxy-1,2-dihydropyridin-2-one
IUPAC Traditional name
2(1H)-pyridinone, 5-hydroxy-
Synonyms
5-Hydroxypyridin-2(1H)-one
CAS Number
5154-01-8
MDL Number
MFCD20442000
PubChem SID
180675314
PubChem CID
99456

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD226010 Please log in.
Data Source Data ID
PubChem 99456 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.698095  H Acceptors
H Donor LogD (pH = 5.5) -0.38215423 
LogD (pH = 7.4) -0.382354  Log P -0.38215166 
Molar Refractivity 29.9376 cm3 Polarizability 10.597298 Å3
Polar Surface Area 49.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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