HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 67220771Generated: October 26, 2026
1-(4-methoxybenzyl)-4-(2-fluoro-4-nitrophenoxy)-1H-pyrazolo[3,4-b]pyridine
https://huagongshe.com/en/chemical/67220771
Identifiers & Physical Properties
| Molecular formula | C20H15FN4O4 |
|---|
| Average molar mass | 394.4 g/mol |
|---|
| Monoisotopic mass | 394.10773313 g/mol |
|---|
| SMILES | COc1ccc(Cn2ncc3c(Oc4ccc([N+](=O)[O-])cc4F)ccnc32)cc1 |
|---|
| InChIKey | QWTKBNNFFHELNF-UHFFFAOYSA-N |
|---|
| PubChem CID | 67220771 |
|---|
Chemical & Physical Properties
| XLogP | 3.9 |
|---|
| Topological polar surface area | 95 |
|---|
| Hydrogen bond donors | 0 |
|---|
| Hydrogen bond acceptors | 7 |
|---|
| Rotatable bonds | 5 |
|---|
| Heavy atoms | 29 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 557 |
|---|
![1-(4-methoxybenzyl)-4-(2-fluoro-4-nitrophenoxy)-1H-pyrazolo[3,4-b]pyridine molecular structure](/img/chemical/67220771.png)