4JP
Summary
| Name: | 1H-pyrrolo[3,2-b]pyridine |
| Formula: | C7 H6 N2 |
| Formal charge: | 0 |
| Formula weight: | 118.136 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1H-pyrrolo[3,2-b]pyridine |
| OpenEye OEToolkits | 1.7.6 | 1H-pyrrolo[3,2-b]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1cccc2c1ccn2 |
| InChI | InChI | 1.03 | InChI=1S/C7H6N2/c1-2-6-7(8-4-1)3-5-9-6/h1-5,9H |
| InChIKey | InChI | 1.03 | XWIYUCRMWCHYJR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | [nH]1ccc2ncccc12 |
| SMILES | CACTVS | 3.370 | [nH]1ccc2ncccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc[nH]2)nc1 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc[nH]2)nc1 |
