3-cyano-4-(2-iodophenyl)-6-oxo-5-(pyridin-1-ium-1-yl)-1,4,5,6-tetrahydropyridin-2-olate
Chemical Structure Depiction of
3-cyano-4-(2-iodophenyl)-6-oxo-5-(pyridin-1-ium-1-yl)-1,4,5,6-tetrahydropyridin-2-olate
3-cyano-4-(2-iodophenyl)-6-oxo-5-(pyridin-1-ium-1-yl)-1,4,5,6-tetrahydropyridin-2-olate
Compound characteristics
| Compound ID: | 8001-1335 |
| Compound Name: | 3-cyano-4-(2-iodophenyl)-6-oxo-5-(pyridin-1-ium-1-yl)-1,4,5,6-tetrahydropyridin-2-olate |
| Molecular Weight: | 417.2 |
| Molecular Formula: | C17 H12 I N3 O2 |
| Smiles: | C(C1C(C(C(NC=1[O-])=O)[n+]1ccccc1)c1ccccc1I)#N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6888 |
| logD: | 1.6882 |
| logSw: | -2.048 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.611 |
| InChI Key: | BMBUFKKFTCLMIK-UHFFFAOYSA-N |