4-[3-(chloromethyl)-4-methoxyphenyl]-3-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
Chemical Structure Depiction of
4-[3-(chloromethyl)-4-methoxyphenyl]-3-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
4-[3-(chloromethyl)-4-methoxyphenyl]-3-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
Compound characteristics
| Compound ID: | C202-2459 |
| Compound Name: | 4-[3-(chloromethyl)-4-methoxyphenyl]-3-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid |
| Molecular Weight: | 438.83 |
| Molecular Formula: | C21 H15 Cl N4 O5 |
| Smiles: | COc1ccc(cc1C[Cl])c1cc(C(O)=O)nc2c1c(c1cccc(c1)[N+]([O-])=O)n[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 4.5241 |
| logD: | 0.2086 |
| logSw: | -4.459 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.304 |
| InChI Key: | HBWZNBJJNATKAT-UHFFFAOYSA-N |