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G8U

Summary
Name:3-chloro-6-(hydroxymethyl)-2-methyl-5-{4-[3-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol
Formula:C20 H15 Cl F3 N O4
Formal charge:0
Formula weight:425.786 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-chloro-6-(hydroxymethyl)-2-methyl-5-{4-[3-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol
OpenEye OEToolkits1.7.65-chloranyl-2-(hydroxymethyl)-6-methyl-3-[4-[3-(trifluoromethyloxy)phenoxy]phenyl]pyridin-4-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1c(O)c(c(nc1C)CO)c3ccc(Oc2cccc(OC(F)(F)F)c2)cc3
InChIInChI1.03InChI=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)
InChIKeyInChI1.03YYKKTOLSPFTXSV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1nc(CO)c(c(O)c1Cl)c2ccc(Oc3cccc(OC(F)(F)F)c3)cc2
SMILESCACTVS3.385Cc1nc(CO)c(c(O)c1Cl)c2ccc(Oc3cccc(OC(F)(F)F)c3)cc2
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1c(c(c(c(n1)CO)c2ccc(cc2)Oc3cccc(c3)OC(F)(F)F)O)Cl
SMILESOpenEye OEToolkits1.7.6Cc1c(c(c(c(n1)CO)c2ccc(cc2)Oc3cccc(c3)OC(F)(F)F)O)Cl

246704

PDB entries from 2025-12-24

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