6-(5-bromo-2-methoxyphenyl)-3-(4-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Chemical Structure Depiction of
6-(5-bromo-2-methoxyphenyl)-3-(4-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
6-(5-bromo-2-methoxyphenyl)-3-(4-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Compound characteristics
| Compound ID: | E455-0217 |
| Compound Name: | 6-(5-bromo-2-methoxyphenyl)-3-(4-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
| Molecular Weight: | 469.25 |
| Molecular Formula: | C20 H13 Br N4 O5 |
| Smiles: | COc1ccc(cc1c1cc(C(O)=O)c2c(n1)n[nH]c2c1ccc(cc1)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.2255 |
| logD: | 0.4363 |
| logSw: | -5.0231 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.304 |
| InChI Key: | IACLLJNLFCQNFD-UHFFFAOYSA-N |