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 |