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A1CKT

Summary
Name:5-[3-[4-chloranyl-3-(trifluoromethyl)phenyl]propyl]-1-oxidanyl-pyridin-3-ol
Formula:C15 H13 Cl F3 N O2
Formal charge:0
Formula weight:331.717 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.525-{3-[4-chloro-3-(trifluoromethyl)phenyl]propyl}-1-oxo-1lambda~5~-pyridin-3-ol
OpenEye OEToolkits3.1.0.05-[3-[4-chloranyl-3-(trifluoromethyl)phenyl]propyl]-1-oxidanidyl-pyridin-1-ium-3-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Oc1cc(CCCc2ccc(Cl)c(c2)C(F)(F)F)c[n+]([O-])c1
InChIInChI1.06InChI=1S/C15H13ClF3NO2/c16-14-5-4-10(7-13(14)15(17,18)19)2-1-3-11-6-12(21)9-20(22)8-11/h4-9,21H,1-3H2
InChIKeyInChI1.06PBTZSYYQLNLMLB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1cc(CCCc2ccc(Cl)c(c2)C(F)(F)F)c[n+]([O-])c1
SMILESCACTVS3.385Oc1cc(CCCc2ccc(Cl)c(c2)C(F)(F)F)c[n+]([O-])c1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(c(cc1CCCc2cc(c[n+](c2)[O-])O)C(F)(F)F)Cl
SMILESOpenEye OEToolkits3.1.0.0c1cc(c(cc1CCCc2cc(c[n+](c2)[O-])O)C(F)(F)F)Cl

257179

PDB entries from 2026-07-29

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