C9E

?

Summary

Name:Ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate
Formula:C10 H10 N2 O2
Formal charge:0
Molecular weight:190.199 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6ethyl 1~{H}-pyrrolo[2,3-b]pyridine-4-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C10H10N2O2/c1-2-14-10(13)8-4-6-12-9-7(8)3-5-11-9/h3-6H,2H2,1H3,(H,11,12)
InChIKeyInChI1.03CKCBQXQNAUHBDX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOC(=O)c1ccnc2[nH]ccc12
SMILESCACTVS3.385CCOC(=O)c1ccnc2[nH]ccc12
SMILES_CANONICALOpenEye OEToolkits2.0.6CCOC(=O)c1ccnc2c1cc[nH]2
SMILESOpenEye OEToolkits2.0.6CCOC(=O)c1ccnc2c1cc[nH]2
170383
PDB entries from 2020-10-28