92P
Summary
| Name: | 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID |
| Formula: | C9 H8 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 176.172 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate |
| OpenEye OEToolkits | 1.9.2 | methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OC)c2c1cccnc1nc2 |
| InChI | InChI | 1.03 | InChI=1S/C9H8N2O2/c1-13-9(12)7-5-11-8-6(7)3-2-4-10-8/h2-5H,1H3,(H,10,11) |
| InChIKey | InChI | 1.03 | XYRUNIAHPKBUJT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1c[nH]c2ncccc12 |
| SMILES | CACTVS | 3.385 | COC(=O)c1c[nH]c2ncccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COC(=O)c1c[nH]c2c1cccn2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | COC(=O)c1c[nH]c2c1cccn2 |
