43H

[1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid

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

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Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count0
Bond Count39
Aromatic Bond Count12
2D diagram of 43H

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Chemical Component Summary

Name[1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid
Systematic Name (OpenEye OEToolkits)[5-oxidanyl-4-oxidanylidene-1-(3-phenylphenyl)pyridin-3-yl]boronic acid
FormulaC17 H14 B N O4
Molecular Weight307.108
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C3C(=CN(c2cccc(c1ccccc1)c2)C=C3O)B(O)O
SMILESCACTVS3.385OB(O)C1=CN(C=C(O)C1=O)c2cccc(c2)c3ccccc3
SMILESOpenEye OEToolkits1.9.2B(C1=CN(C=C(C1=O)O)c2cccc(c2)c3ccccc3)(O)O
Canonical SMILESCACTVS3.385 OB(O)C1=CN(C=C(O)C1=O)c2cccc(c2)c3ccccc3
Canonical SMILESOpenEye OEToolkits1.9.2 B(C1=CN(C=C(C1=O)O)c2cccc(c2)c3ccccc3)(O)O
InChIInChI1.03 InChI=1S/C17H14BNO4/c20-16-11-19(10-15(17(16)21)18(22)23)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11,20,22-23H
InChIKeyInChI1.03 RJVMGRMKRJSOAH-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3425744
PubChem 53379376
ChEMBL CHEMBL3425744