CQG

pyridin-4-ol

Created:	2017-09-28
Last modified:	2018-10-03

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7 entries where CQG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	12
Chiral Atom Count	0
Bond Count	12
Aromatic Bond Count	6

2D diagram of CQG

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Chemical Component Summary
Name	pyridin-4-ol
Systematic Name (OpenEye OEToolkits)	pyridin-4-ol
Formula	C₅ H₅ N O
Molecular Weight	95.099
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cnccc1O
SMILES	CACTVS	3.385	Oc1ccncc1
SMILES	OpenEye OEToolkits	2.0.6	c1cnccc1O
Canonical SMILES	CACTVS	3.385	Oc1ccncc1
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cnccc1O
InChI	InChI	1.03	InChI=1S/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)
InChIKey	InChI	1.03	GCNTZFIIOFTKIY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	12290
ChEMBL	CHEMBL237459
ChEBI	CHEBI:87614, CHEBI:133125
CCDC/CSD	ACOJEK, OCAZEX, MOKYER01, YAVTEU, MOCRIF, XAQZIA, QIVBAA, GETYIO

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.