1-[4-(4-bromophenyl)-5-cyano-2,6-dioxopiperidin-3-yl]pyridin-1-ium--chloride (1/1)
Chemical Structure Depiction of
1-[4-(4-bromophenyl)-5-cyano-2,6-dioxopiperidin-3-yl]pyridin-1-ium--chloride (1/1)
1-[4-(4-bromophenyl)-5-cyano-2,6-dioxopiperidin-3-yl]pyridin-1-ium--chloride (1/1)
Compound characteristics
| Compound ID: | 8011-9657 |
| Compound Name: | 1-[4-(4-bromophenyl)-5-cyano-2,6-dioxopiperidin-3-yl]pyridin-1-ium--chloride (1/1) |
| Molecular Weight: | 406.66 |
| Molecular Formula: | C17 H13 Br N3 O2 |
| Salt: | Cl- |
| Smiles: | C(C1C(C(C(NC1=O)=O)[n+]1ccccc1)c1ccc(cc1)[Br])#N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5062 |
| logD: | 0.4007 |
| logSw: | -1.8725 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.233 |
| InChI Key: | XCQJGGWWMMKHTF-UHFFFAOYSA-O |