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4X9

Summary
Name:3-chloro-2,6-dimethyl-5-{4-[4-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol
Formula:C20 H15 Cl F3 N O3
Formal charge:0
Formula weight:409.786 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-chloro-2,6-dimethyl-5-{4-[4-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol
OpenEye OEToolkits1.7.63-chloranyl-2,6-dimethyl-5-[4-[4-(trifluoromethyloxy)phenoxy]phenyl]pyridin-4-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1c(O)c(c(nc1C)C)c3ccc(Oc2ccc(OC(F)(F)F)cc2)cc3
InChIInChI1.03InChI=1S/C20H15ClF3NO3/c1-11-17(19(26)18(21)12(2)25-11)13-3-5-14(6-4-13)27-15-7-9-16(10-8-15)28-20(22,23)24/h3-10H,1-2H3,(H,25,26)
InChIKeyInChI1.03BZRPOJGQEWLGMP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1nc(C)c(c(O)c1Cl)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2
SMILESCACTVS3.385Cc1nc(C)c(c(O)c1Cl)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1c(c(c(c(n1)C)Cl)O)c2ccc(cc2)Oc3ccc(cc3)OC(F)(F)F
SMILESOpenEye OEToolkits1.7.6Cc1c(c(c(c(n1)C)Cl)O)c2ccc(cc2)Oc3ccc(cc3)OC(F)(F)F

248636

PDB entries from 2026-02-04

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