A1I8A
Summary
| Name: | 5-chloranyl-4-(1~{H}-pyrrol-2-yl)-1~{H}-pyrrolo[2,3-b]pyridine |
| Formula: | C11 H8 Cl N3 |
| Formal charge: | 0 |
| Formula weight: | 217.654 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-chloranyl-4-(1~{H}-pyrrol-2-yl)-1~{H}-pyrrolo[2,3-b]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H8ClN3/c12-8-6-15-11-7(3-5-14-11)10(8)9-2-1-4-13-9/h1-6,13H,(H,14,15) |
| InChIKey | InChI | 1.06 | KMLIIVCUTYVRRH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cnc2[nH]ccc2c1c3[nH]ccc3 |
| SMILES | CACTVS | 3.385 | Clc1cnc2[nH]ccc2c1c3[nH]ccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc([nH]c1)c2c3cc[nH]c3ncc2Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc([nH]c1)c2c3cc[nH]c3ncc2Cl |
