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6J3

Summary
Name:2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
Formula:C13 H11 Cl N2 O2
Formal charge:0
Formula weight:262.692 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.52-[(3-chloranyl-2-methyl-phenyl)amino]pyridine-3-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C13H11ClN2O2/c1-8-10(14)5-2-6-11(8)16-12-9(13(17)18)4-3-7-15-12/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyInChI1.03CLOMYZFHNHFSIQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1c(Cl)cccc1Nc2ncccc2C(O)=O
SMILESCACTVS3.385Cc1c(Cl)cccc1Nc2ncccc2C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.5Cc1c(cccc1Cl)Nc2c(cccn2)C(=O)O
SMILESOpenEye OEToolkits2.0.5Cc1c(cccc1Cl)Nc2c(cccn2)C(=O)O

217705

PDB entries from 2024-03-27

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