8XQ

8-hydroxyquinoline-5-carboxylic acid

Created:	2010-07-05
Last modified:	2011-06-04

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7 entries where 8XQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	11

2D diagram of 8XQ

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Chemical Component Summary
Name	8-hydroxyquinoline-5-carboxylic acid
Systematic Name (OpenEye OEToolkits)	8-hydroxyquinoline-5-carboxylic acid
Formula	C₁₀ H₇ N O₃
Molecular Weight	189.167
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)c1ccc(O)c2ncccc12
SMILES	CACTVS	3.370	OC(=O)c1ccc(O)c2ncccc12
SMILES	OpenEye OEToolkits	1.7.0	c1cc2c(ccc(c2nc1)O)C(=O)O
Canonical SMILES	CACTVS	3.370	OC(=O)c1ccc(O)c2ncccc12
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1cc2c(ccc(c2nc1)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)
InChIKey	InChI	1.03	JGRPKOGHYBAVMW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL1230640
PubChem	459617
ChEMBL	CHEMBL1230640
ChEBI	CHEBI:93239

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.