ZVB
Summary
| Name: | 2-(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine |
| Formula: | C10 H12 N2 |
| Formal charge: | 0 |
| Formula weight: | 160.216 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine |
| OpenEye OEToolkits | 2.0.7 | 2-propan-2-yl-1~{H}-pyrrolo[3,2-b]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C)c1cc2ncccc2[NH]1 |
| InChI | InChI | 1.06 | InChI=1S/C10H12N2/c1-7(2)9-6-10-8(12-9)4-3-5-11-10/h3-7,12H,1-2H3 |
| InChIKey | InChI | 1.06 | OKEHFANNANVSEO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1[nH]c2cccnc2c1 |
| SMILES | CACTVS | 3.385 | CC(C)c1[nH]c2cccnc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)c1cc2c([nH]1)cccn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)c1cc2c([nH]1)cccn2 |
