43G

1-(biphenyl-3-yl)-3-hydroxypyridin-4(1H)-one

Created:2015-01-26
Last modified:  2015-04-15

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Chemical Details

Formal Charge0
Atom Count33
Chiral Atom Count0
Bond Count35
Aromatic Bond Count12
2D diagram of 43G

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Chemical Component Summary

Name1-(biphenyl-3-yl)-3-hydroxypyridin-4(1H)-one
Systematic Name (OpenEye OEToolkits)3-oxidanyl-1-(3-phenylphenyl)pyridin-4-one
FormulaC17 H13 N O2
Molecular Weight263.291
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C3C=CN(c2cccc(c1ccccc1)c2)C=C3O
SMILESCACTVS3.385OC1=CN(C=CC1=O)c2cccc(c2)c3ccccc3
SMILESOpenEye OEToolkits1.9.2c1ccc(cc1)c2cccc(c2)N3C=CC(=O)C(=C3)O
Canonical SMILESCACTVS3.385 OC1=CN(C=CC1=O)c2cccc(c2)c3ccccc3
Canonical SMILESOpenEye OEToolkits1.9.2 c1ccc(cc1)c2cccc(c2)N3C=CC(=O)C(=C3)O
InChIInChI1.03 InChI=1S/C17H13NO2/c19-16-9-10-18(12-17(16)20)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12,20H
InChIKeyInChI1.03 IAMQYYMWXQPFDC-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3425734
PubChem 53380912
ChEMBL CHEMBL3425734