XXE
Summary
| Name: | 4-(1H-pyrrol-1-yl)pyridine-2-carboxylic acid |
| Formula: | C10 H8 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 188.183 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(1H-pyrrol-1-yl)pyridine-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.6 | 4-pyrrol-1-ylpyridine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cc(ccn1)n2cccc2 |
| InChI | InChI | 1.03 | InChI=1S/C10H8N2O2/c13-10(14)9-7-8(3-4-11-9)12-5-1-2-6-12/h1-7H,(H,13,14) |
| InChIKey | InChI | 1.03 | WGDPWMLPQRTMBY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(ccn1)n2cccc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(ccn1)n2cccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccn(c1)c2ccnc(c2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccn(c1)c2ccnc(c2)C(=O)O |
