A1I8B
Summary
| Name: | 5-chloranyl-4-(1~{H}-pyrazol-5-yl)-1~{H}-pyrrolo[2,3-b]pyridine |
| Formula: | C10 H7 Cl N4 |
| Formal charge: | 0 |
| Formula weight: | 218.642 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-chloranyl-4-(1~{H}-pyrazol-5-yl)-1~{H}-pyrrolo[2,3-b]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H7ClN4/c11-7-5-13-10-6(1-3-12-10)9(7)8-2-4-14-15-8/h1-5H,(H,12,13)(H,14,15) |
| InChIKey | InChI | 1.06 | PICMQXAHVSQYFM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cnc2[nH]ccc2c1c3[nH]ncc3 |
| SMILES | CACTVS | 3.385 | Clc1cnc2[nH]ccc2c1c3[nH]ncc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1c(c(cn2)Cl)c3ccn[nH]3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1c(c(cn2)Cl)c3ccn[nH]3 |
