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13143-47-0 molecular structure
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1-(4-aminophenyl)-1,2-dihydropyridin-2-one

ChemBase ID: 287904
Molecular Formular: C11H10N2O
Molecular Mass: 186.2099
Monoisotopic Mass: 186.07931295
SMILES and InChIs

SMILES:
O=c1ccccn1c1ccc(N)cc1
Canonical SMILES:
Nc1ccc(cc1)n1ccccc1=O
InChI:
InChI=1S/C11H10N2O/c12-9-4-6-10(7-5-9)13-8-2-1-3-11(13)14/h1-8H,12H2
InChIKey:
LXFHLDJQBIZFOP-UHFFFAOYSA-N

Cite this record

CBID:287904 http://www.chembase.cn/molecule-287904.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-aminophenyl)-1,2-dihydropyridin-2-one
IUPAC Traditional name
1-(4-aminophenyl)pyridin-2-one
Synonyms
1-(4-Aminophenyl)-1H-pyridin-2-one
CAS Number
13143-47-0
PubChem SID
180673435
PubChem CID
11535695

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD162829 Please log in.
Data Source Data ID
PubChem 11535695 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0615182  LogD (pH = 7.4) 1.0694681 
Log P 1.0695704  Molar Refractivity 57.42 cm3
Polarizability 20.657341 Å3 Polar Surface Area 46.33 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

INTERNET

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