4-{[5-cyano-2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]diazenyl}benzoic acid
Chemical Structure Depiction of
4-{[5-cyano-2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]diazenyl}benzoic acid
4-{[5-cyano-2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]diazenyl}benzoic acid
Compound characteristics
| Compound ID: | 4995-0099 |
| Compound Name: | 4-{[5-cyano-2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]diazenyl}benzoic acid |
| Molecular Weight: | 342.31 |
| Molecular Formula: | C16 H14 N4 O5 |
| Smiles: | CC1=C(C#N)C(N(CCO)C(=C1/N=N/c1ccc(cc1)C(O)=O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5964 |
| logD: | -4.2642 |
| logSw: | -1.7399 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 116.468 |
| InChI Key: | XBHXTLBLOAGSNG-VHEBQXMUSA-N |