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1ZQ

Summary
Name:5,6-bis(4-fluorophenyl)pyridine-2,3-diol
Formula:C17 H11 F2 N O2
Formal charge:0
Formula weight:299.272 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015,6-bis(4-fluorophenyl)pyridine-2,3-diol
OpenEye OEToolkits1.7.65,6-bis(4-fluorophenyl)pyridine-2,3-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc3ccc(c2nc(O)c(O)cc2c1ccc(F)cc1)cc3
InChIInChI1.03InChI=1S/C17H11F2NO2/c18-12-5-1-10(2-6-12)14-9-15(21)17(22)20-16(14)11-3-7-13(19)8-4-11/h1-9,21H,(H,20,22)
InChIKeyInChI1.03CIZBXDSIEHHRKM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1cc(c2ccc(F)cc2)c(nc1O)c3ccc(F)cc3
SMILESCACTVS3.385Oc1cc(c2ccc(F)cc2)c(nc1O)c3ccc(F)cc3
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(ccc1c2cc(c(nc2c3ccc(cc3)F)O)O)F
SMILESOpenEye OEToolkits1.7.6c1cc(ccc1c2cc(c(nc2c3ccc(cc3)F)O)O)F

223532

数据于2024-08-07公开中

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