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1E5

Summary
Name:6-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid
Formula:C14 H10 F N O5
Formal charge:0
Formula weight:291.231 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid
OpenEye OEToolkits1.7.66-[3-fluoranyl-5-(2-hydroxy-2-oxoethyloxy)phenyl]pyridine-3-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)COc2cc(c1ncc(cc1)C(=O)O)cc(F)c2
InChIInChI1.03InChI=1S/C14H10FNO5/c15-10-3-9(4-11(5-10)21-7-13(17)18)12-2-1-8(6-16-12)14(19)20/h1-6H,7H2,(H,17,18)(H,19,20)
InChIKeyInChI1.03JGGHMGTXTAKFQV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370OC(=O)COc1cc(F)cc(c1)c2ccc(cn2)C(O)=O
SMILESCACTVS3.370OC(=O)COc1cc(F)cc(c1)c2ccc(cn2)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(ncc1C(=O)O)c2cc(cc(c2)F)OCC(=O)O
SMILESOpenEye OEToolkits1.7.6c1cc(ncc1C(=O)O)c2cc(cc(c2)F)OCC(=O)O

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PDB entries from 2024-07-24

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