42A
Summary
| Name: | 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile |
| Formula: | C8 H5 N3 |
| Formal charge: | 0 |
| Formula weight: | 143.145 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile |
| OpenEye OEToolkits | 1.9.2 | 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc2c1cccnc1nc2 |
| InChI | InChI | 1.03 | InChI=1S/C8H5N3/c9-4-6-5-11-8-7(6)2-1-3-10-8/h1-3,5H,(H,10,11) |
| InChIKey | InChI | 1.03 | MUCWDACENIACBH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N#Cc1c[nH]c2ncccc12 |
| SMILES | CACTVS | 3.385 | N#Cc1c[nH]c2ncccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc2c(c[nH]c2nc1)C#N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc2c(c[nH]c2nc1)C#N |
