8D6
Summary
| Name: | 3-chloranyl-4-pyridin-4-yl-1H-pyrrole-2-carboxamide |
| Formula: | C10 H8 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 221.643 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-chloranyl-4-pyridin-4-yl-1~{H}-pyrrole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H8ClN3O/c11-8-7(5-14-9(8)10(12)15)6-1-3-13-4-2-6/h1-5,14H,(H2,12,15) |
| InChIKey | InChI | 1.03 | PGLBZRZEQTVNDN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1[nH]cc(c1Cl)c2ccncc2 |
| SMILES | CACTVS | 3.385 | NC(=O)c1[nH]cc(c1Cl)c2ccncc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cnccc1c2c[nH]c(c2Cl)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cnccc1c2c[nH]c(c2Cl)C(=O)N |
