A1I8M
Summary
| Name: | 5-chloranyl-4-(1~{H}-1,2,3-triazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine |
| Formula: | C9 H6 Cl N5 |
| Formal charge: | 0 |
| Formula weight: | 219.63 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-chloranyl-4-(1~{H}-1,2,3-triazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H6ClN5/c10-6-3-12-9-5(1-2-11-9)8(6)7-4-13-15-14-7/h1-4H,(H,11,12)(H,13,14,15) |
| InChIKey | InChI | 1.06 | YUIHMYKCTNUMCI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cnc2[nH]ccc2c1c3c[nH]nn3 |
| SMILES | CACTVS | 3.385 | Clc1cnc2[nH]ccc2c1c3c[nH]nn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1c(c(cn2)Cl)c3c[nH]nn3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1c(c(cn2)Cl)c3c[nH]nn3 |
