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 |