8H8

2-fluoro-4-hydroxybenzonitrile

Created:	2014-09-22
Last modified:	2014-12-10

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5 entries where 8H8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	14
Chiral Atom Count	0
Bond Count	14
Aromatic Bond Count	6

2D diagram of 8H8

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Chemical Component Summary
Name	2-fluoro-4-hydroxybenzonitrile
Systematic Name (OpenEye OEToolkits)	2-fluoranyl-4-oxidanyl-benzenecarbonitrile
Formula	C₇ H₄ F N O
Molecular Weight	137.111
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1c(C#N)ccc(O)c1
SMILES	CACTVS	3.385	Oc1ccc(C#N)c(F)c1
SMILES	OpenEye OEToolkits	1.9.2	c1cc(c(cc1O)F)C#N
Canonical SMILES	CACTVS	3.385	Oc1ccc(C#N)c(F)c1
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc(c(cc1O)F)C#N
InChI	InChI	1.03	InChI=1S/C7H4FNO/c8-7-3-6(10)2-1-5(7)4-9/h1-3,10H
InChIKey	InChI	1.03	REIVHYDACHXPNH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2734675
CCDC/CSD	RAJQEZ

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.