T4R
Summary
| Name: | 5-iodo-1H-pyrazole |
| Formula: | C3 H3 I N2 |
| Formal charge: | 0 |
| Formula weight: | 193.974 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-iodo-1H-pyrazole |
| OpenEye OEToolkits | 2.0.7 | 5-iodanyl-1~{H}-pyrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Ic1ccn[NH]1 |
| InChI | InChI | 1.06 | InChI=1S/C3H3IN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6) |
| InChIKey | InChI | 1.06 | RUKDVLFJSMVBLV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Ic1[nH]ncc1 |
| SMILES | CACTVS | 3.385 | Ic1[nH]ncc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cn[nH]c1I |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cn[nH]c1I |
