1-(2-bromo-2-carboxyethyl)pyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-(2-bromo-2-carboxyethyl)pyridin-1-ium--bromide (1/1)
1-(2-bromo-2-carboxyethyl)pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 8008-9171 |
| Compound Name: | 1-(2-bromo-2-carboxyethyl)pyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 310.97 |
| Molecular Formula: | C8 H9 Br N O2 |
| Salt: | Br- |
| Smiles: | C(C(C(O)=O)[Br])[n+]1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6887 |
| logD: | -3.362 |
| logSw: | -0.4247 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.711 |
| InChI Key: | LQVQMZPARPWTRW-ZETCQYMHSA-O |