92P

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Summary

Name:1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID
Formula:C9 H8 N2 O2
Formal charge:0
Molecular weight:176.172 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate
OpenEye OEToolkits1.9.2methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(OC)c2c1cccnc1nc2
InChIInChI1.03InChI=1S/C9H8N2O2/c1-13-9(12)7-5-11-8-6(7)3-2-4-10-8/h2-5H,1H3,(H,10,11)
InChIKeyInChI1.03XYRUNIAHPKBUJT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COC(=O)c1c[nH]c2ncccc12
SMILESCACTVS3.385COC(=O)c1c[nH]c2ncccc12
SMILES_CANONICALOpenEye OEToolkits1.9.2COC(=O)c1c[nH]c2c1cccn2
SMILESOpenEye OEToolkits1.9.2COC(=O)c1c[nH]c2c1cccn2