4-cyano-1-[2-(3-nitrophenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
4-cyano-1-[2-(3-nitrophenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
4-cyano-1-[2-(3-nitrophenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 2222-0265 |
| Compound Name: | 4-cyano-1-[2-(3-nitrophenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 348.15 |
| Molecular Formula: | C14 H10 N3 O3 |
| Salt: | Br- |
| Smiles: | C(C(c1cccc(c1)[N+]([O-])=O)=O)[n+]1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.107 |
| logD: | 2.107 |
| logSw: | -2.5465 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.716 |
| InChI Key: | PRZIGLFUOVRVCC-UHFFFAOYSA-N |