4-carboxy-1-[(4-fluorophenyl)methyl]pyridin-1-ium--chloride (1/1)
Chemical Structure Depiction of
4-carboxy-1-[(4-fluorophenyl)methyl]pyridin-1-ium--chloride (1/1)
4-carboxy-1-[(4-fluorophenyl)methyl]pyridin-1-ium--chloride (1/1)
Compound characteristics
| Compound ID: | C066-5293 |
| Compound Name: | 4-carboxy-1-[(4-fluorophenyl)methyl]pyridin-1-ium--chloride (1/1) |
| Molecular Weight: | 267.68 |
| Molecular Formula: | C13 H11 F N O2 |
| Salt: | Cl- |
| Smiles: | C(c1ccc(cc1)F)[n+]1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6257 |
| logD: | -1.3929 |
| logSw: | -2.5852 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.4391 |
| InChI Key: | PRUOHQHLTBHRJD-UHFFFAOYSA-O |