53B

6-hydroxypyridine-2-carboxylic acid

Created:	2015-07-21
Last modified:	2015-09-09

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2 entries where 53B is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	15
Chiral Atom Count	0
Bond Count	15
Aromatic Bond Count	6

2D diagram of 53B

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Chemical Component Summary
Name	6-hydroxypyridine-2-carboxylic acid
Systematic Name (OpenEye OEToolkits)	6-oxidanylpyridine-2-carboxylic acid
Formula	C₆ H₅ N O₃
Molecular Weight	139.109
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cc(nc(c1)C(=O)O)O
SMILES	CACTVS	3.385	OC(=O)c1cccc(O)n1
SMILES	OpenEye OEToolkits	1.9.2	c1cc(nc(c1)O)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)c1cccc(O)n1
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc(nc(c1)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C6H5NO3/c8-5-3-1-2-4(7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)
InChIKey	InChI	1.03	VRCWSYYXUCKEED-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	242721
ChEMBL	CHEMBL1650602
CCDC/CSD	SUYXIU, NIGZEJ01, SUZNEH, SECPUN, NIGZEJ, POVFIP

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.