4-[6-(4-bromophenyl)-4-(difluoromethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]benzoic acid
Chemical Structure Depiction of
4-[6-(4-bromophenyl)-4-(difluoromethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]benzoic acid
4-[6-(4-bromophenyl)-4-(difluoromethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]benzoic acid
Compound characteristics
| Compound ID: | Y504-6775 |
| Compound Name: | 4-[6-(4-bromophenyl)-4-(difluoromethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]benzoic acid |
| Molecular Weight: | 458.26 |
| Molecular Formula: | C21 H14 Br F2 N3 O2 |
| Smiles: | Cc1c2c(cc(c3ccc(cc3)[Br])nc2n(c2ccc(cc2)C(O)=O)n1)C(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.7285 |
| logD: | 2.8423 |
| logSw: | -5.642 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.771 |
| InChI Key: | JTDNULNRVUNTQR-UHFFFAOYSA-N |