1MJ
Summary
| Name: | 1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde |
| Formula: | C8 H6 N2 O |
| Formal charge: | 0 |
| Formula weight: | 146.146 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde |
| OpenEye OEToolkits | 1.7.6 | 1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=Cc1cc2c(nc1)ccn2 |
| InChI | InChI | 1.03 | InChI=1S/C8H6N2O/c11-5-6-3-8-7(10-4-6)1-2-9-8/h1-5,9H |
| InChIKey | InChI | 1.03 | HRLUESWIQOAEBQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O=Cc1cnc2cc[nH]c2c1 |
| SMILES | CACTVS | 3.370 | O=Cc1cnc2cc[nH]c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c[nH]c2c1ncc(c2)C=O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c[nH]c2c1ncc(c2)C=O |
