YXU
Summary
| Name: | 5-methoxy-1H-pyrrolo[3,2-b]pyridine |
| Formula: | C8 H8 N2 O |
| Formal charge: | 0 |
| Formula weight: | 148.162 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-methoxy-1H-pyrrolo[3,2-b]pyridine |
| OpenEye OEToolkits | 2.0.7 | 5-methoxy-1~{H}-pyrrolo[3,2-b]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1ccc2[NH]ccc2n1 |
| InChI | InChI | 1.06 | InChI=1S/C8H8N2O/c1-11-8-3-2-6-7(10-8)4-5-9-6/h2-5,9H,1H3 |
| InChIKey | InChI | 1.06 | WTIFEVSWZUSXQL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2[nH]ccc2n1 |
| SMILES | CACTVS | 3.385 | COc1ccc2[nH]ccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(n1)cc[nH]2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(n1)cc[nH]2 |
