1KE
Summary
| Name: | 1-(3-chloranyl-5-iodanyl-pyridin-2-yl)piperazine |
| Synonyms: | BDM88832 |
| Formula: | C9 H11 Cl I N3 |
| Formal charge: | 0 |
| Formula weight: | 323.561 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(3-chloranyl-5-iodanyl-pyridin-2-yl)piperazine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H11ClIN3/c10-8-5-7(11)6-13-9(8)14-3-1-12-2-4-14/h5-6,12H,1-4H2 |
| InChIKey | InChI | 1.03 | KNESUARQWHBJBR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc(I)cnc1N2CCNCC2 |
| SMILES | CACTVS | 3.385 | Clc1cc(I)cnc1N2CCNCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cnc(c1Cl)N2CCNCC2)I |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cnc(c1Cl)N2CCNCC2)I |
