methyl 4-hydroxy-2-methyl-5-(2-nitrophenyl)-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-hydroxy-2-methyl-5-(2-nitrophenyl)-1H-pyrrole-3-carboxylate
methyl 4-hydroxy-2-methyl-5-(2-nitrophenyl)-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 8018-8122 |
| Compound Name: | methyl 4-hydroxy-2-methyl-5-(2-nitrophenyl)-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 276.25 |
| Molecular Formula: | C13 H12 N2 O5 |
| Smiles: | Cc1c(C(=O)OC)c(c(c2ccccc2[N+]([O-])=O)[nH]1)O |
| Stereo: | ACHIRAL |
| logP: | 2.2268 |
| logD: | 2.2129 |
| logSw: | -2.753 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.682 |
| InChI Key: | CLDDXIRVVRBLHL-UHFFFAOYSA-N |