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TXO

Summary
Name:5-phenoxy-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid
Formula:C15 H9 F6 N O4
Formal charge:0
Formula weight:381.227 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-phenoxy-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid
OpenEye OEToolkits2.0.75-phenoxy-2-(trifluoromethyl)-6-[2,2,2-tris(fluoranyl)ethoxy]pyridine-3-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)c1nc(OCC(F)(F)F)c(cc1C(=O)O)Oc1ccccc1
InChIInChI1.06InChI=1S/C15H9F6NO4/c16-14(17,18)7-25-12-10(26-8-4-2-1-3-5-8)6-9(13(23)24)11(22-12)15(19,20)21/h1-6H,7H2,(H,23,24)
InChIKeyInChI1.06XNHJSACITZKERU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1cc(Oc2ccccc2)c(OCC(F)(F)F)nc1C(F)(F)F
SMILESCACTVS3.385OC(=O)c1cc(Oc2ccccc2)c(OCC(F)(F)F)nc1C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)Oc2cc(c(nc2OCC(F)(F)F)C(F)(F)F)C(=O)O
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)Oc2cc(c(nc2OCC(F)(F)F)C(F)(F)F)C(=O)O

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PDB entries from 2024-07-10

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