69K

5-ethyl-4-fluoro-2-[(2-methylpyridin-3-yl)oxy]phenol

Created:	2016-02-21
Last modified:	2017-02-22

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	12

2D diagram of 69K

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Chemical Component Summary
Name	5-ethyl-4-fluoro-2-[(2-methylpyridin-3-yl)oxy]phenol
Systematic Name (OpenEye OEToolkits)	5-ethyl-4-fluoranyl-2-(2-methylpyridin-3-yl)oxy-phenol
Formula	C₁₄ H₁₄ F N O₂
Molecular Weight	247.265
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1ncccc1Oc2cc(F)c(cc2O)CC
SMILES	CACTVS	3.385	CCc1cc(O)c(Oc2cccnc2C)cc1F
SMILES	OpenEye OEToolkits	2.0.4	CCc1cc(c(cc1F)Oc2cccnc2C)O
Canonical SMILES	CACTVS	3.385	CCc1cc(O)c(Oc2cccnc2C)cc1F
Canonical SMILES	OpenEye OEToolkits	2.0.4	CCc1cc(c(cc1F)Oc2cccnc2C)O
InChI	InChI	1.03	InChI=1S/C14H14FNO2/c1-3-10-7-12(17)14(8-11(10)15)18-13-5-4-6-16-9(13)2/h4-8,17H,3H2,1-2H3
InChIKey	InChI	1.03	VHXDJFGLVVJBNS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	124201637

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.