G8U

3-chloro-6-(hydroxymethyl)-2-methyl-5-{4-[3-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol

Created:	2014-07-27
Last modified:	2015-01-14

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	0
Bond Count	46
Aromatic Bond Count	18

2D diagram of G8U

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Chemical Component Summary
Name	3-chloro-6-(hydroxymethyl)-2-methyl-5-{4-[3-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol
Systematic Name (OpenEye OEToolkits)	5-chloranyl-2-(hydroxymethyl)-6-methyl-3-[4-[3-(trifluoromethyloxy)phenoxy]phenyl]pyridin-4-ol
Formula	C₂₀ H₁₅ Cl F₃ N O₄
Molecular Weight	425.786
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1c(O)c(c(nc1C)CO)c3ccc(Oc2cccc(OC(F)(F)F)c2)cc3
SMILES	CACTVS	3.385	Cc1nc(CO)c(c(O)c1Cl)c2ccc(Oc3cccc(OC(F)(F)F)c3)cc2
SMILES	OpenEye OEToolkits	1.7.6	Cc1c(c(c(c(n1)CO)c2ccc(cc2)Oc3cccc(c3)OC(F)(F)F)O)Cl
Canonical SMILES	CACTVS	3.385	Cc1nc(CO)c(c(O)c1Cl)c2ccc(Oc3cccc(OC(F)(F)F)c3)cc2
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1c(c(c(c(n1)CO)c2ccc(cc2)Oc3cccc(c3)OC(F)(F)F)O)Cl
InChI	InChI	1.03	InChI=1S/C20H15ClF3NO4/c1-11-18(21)19(27)17(16(10-26)25-11)12-5-7-13(8-6-12)28-14-3-2-4-15(9-14)29-20(22,23)24/h2-9,26H,10H2,1H3,(H,25,27)
InChIKey	InChI	1.03	YYKKTOLSPFTXSV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	68690519

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