KKV

4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl]benzoic acid

Created:	2019-01-02
Last modified:	2019-05-01

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1 entries where KKV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	12

2D diagram of KKV

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Chemical Component Summary
Name	4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl]benzoic acid
Systematic Name (OpenEye OEToolkits)	4-[2-(4-fluorophenyl)-5-oxidanyl-6-oxidanylidene-1~{H}-pyridin-3-yl]benzoic acid
Formula	C₁₈ H₁₂ F N O₄
Molecular Weight	325.291
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2C(O)=CC(c1ccc(cc1)C(=O)O)=C(N2)c3ccc(cc3)F
SMILES	CACTVS	3.385	OC(=O)c1ccc(cc1)C2=C(NC(=O)C(=C2)O)c3ccc(F)cc3
SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1C2=C(NC(=O)C(=C2)O)c3ccc(cc3)F)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)c1ccc(cc1)C2=C(NC(=O)C(=C2)O)c3ccc(F)cc3
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1C2=C(NC(=O)C(=C2)O)c3ccc(cc3)F)C(=O)O
InChI	InChI	1.03	InChI=1S/C18H12FNO4/c19-13-7-5-11(6-8-13)16-14(9-15(21)17(22)20-16)10-1-3-12(4-2-10)18(23)24/h1-9,21H,(H,20,22)(H,23,24)
InChIKey	InChI	1.03	ZTIFGKNOJZNMHX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	138105966

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