HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(Methoxycarbonyl)-5-methylpyridine-4-boronic acid
2-(Methoxycarbonyl)-5-methylpyridine-4-boronic acid · 5-Methyl-2-(methoxycarbonyl)pyridine-4-boronic acid

Identifiers & Physical Properties
| CAS No. | 2225175-41-5 |
|---|---|
| Molecular formula | C8H10BNO4 |
| Average molar mass | 194.98 g/mol |
| SMILES | COC(=O)c1cc(B(O)O)c(C)cn1 |
| InChIKey | GHRGYUOJAFUJQO-UHFFFAOYSA-N |
Chemical & Physical Properties
| Topological polar surface area | 79.7 |
|---|---|
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 3 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 212 |
| Boiling point | 418.0±55.0 °C(Predicted) |
| Density | 1.28±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 6.83±0.58(Predicted) |