LQ3

(5S)-5-(difluoromethoxy)pyridin-2(5H)-one

Created:	2022-03-04
Last modified:	2022-03-16

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3 entries where LQ3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	1
Bond Count	16
Aromatic Bond Count	0

2D diagram of LQ3

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Chemical Component Summary
Name	(5S)-5-(difluoromethoxy)pyridin-2(5H)-one
Systematic Name (OpenEye OEToolkits)	3-[bis(fluoranyl)methoxy]-3~{H}-pyridin-6-one
Formula	C₆ H₅ F₂ N O₂
Molecular Weight	161.106
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1C=CC(OC(F)F)C=N1
SMILES	CACTVS	3.385	FC(F)O[CH]1C=CC(=O)N=C1
SMILES	OpenEye OEToolkits	2.0.7	C1=CC(=O)N=CC1OC(F)F
Canonical SMILES	CACTVS	3.385	FC(F)O[C@H]1C=CC(=O)N=C1
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1=CC(=O)N=CC1OC(F)F
InChI	InChI	1.03	InChI=1S/C6H5F2NO2/c7-6(8)11-4-1-2-5(10)9-3-4/h1-4,6H/t4-/m0/s1
InChIKey	InChI	1.03	LTVXNUWMTTYHRL-BYPYZUCNSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.