TL;DR: 1,4-Dihydro-1-(4-fluorophenyl)-4-oxo-6-(2-(3-pyridinyl)ethenyl)-3-pyridinecarboxylic acid (CAS 92365-49-6) is a chemical compound with molecular formula C19H13FN2O3 and molecular weight 336.09103 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-fluorophenyl)-4-oxo-6-[(E)-2-pyridin-3-ylethenyl]pyridine-3-carboxylic acid
Also Known As: 1,4-Dihydro-1-(4-fluorophenyl)-4-oxo-6-(2-(3-pyridinyl)ethenyl)-3-pyridinecarboxylic acid, 3-Pyridinecarboxylic acid, 1,4-dihydro-1-(4-fluorophenyl)-4-oxo-6-(2-(3-pyridinyl)ethenyl)-, 1-(4-fluorophenyl)-4-oxo-6-[(E)-2-pyridin-3-ylethenyl]pyridine-3-carboxylic acid
| Molecular Formula | C19H13FN2O3 |
| Molecular Weight | 336.09103 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.09103 Da |
| Heavy Atoms | 25 |
| Complexity | 618.0 |
| SMILES | C1=CC(=CN=C1)/C=C/C2=CC(=O)C(=CN2C3=CC=C(C=C3)F)C(=O)O |
| InChIKey | MBIKAEYGSYDDAA-ZZXKWVIFSA-N |
The XLogP value of 3.4 indicates that 1,4-Dihydro-1-(4-fluorophenyl)-4-oxo-6-(2-(3-pyridinyl)ethenyl)-3-pyridinecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dihydro-1-(4-fluorophenyl)-4-oxo-6-(2-(3-pyridinyl)ethenyl)-3-pyridinecarboxylic acid. Following Lipinski's Rule of Five, 1,4-Dihydro-1-(4-fluorophenyl)-4-oxo-6-(2-(3-pyridinyl)ethenyl)-3-pyridinecarboxylic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,4-Dihydro-1-(4-fluorophenyl)-4-oxo-6-(2-(3-pyridinyl)ethenyl)-3-pyridinecarboxylic acid is 92365-49-6.
The molecular formula of 1,4-Dihydro-1-(4-fluorophenyl)-4-oxo-6-(2-(3-pyridinyl)ethenyl)-3-pyridinecarboxylic acid is C19H13FN2O3.
The molecular weight of 1,4-Dihydro-1-(4-fluorophenyl)-4-oxo-6-(2-(3-pyridinyl)ethenyl)-3-pyridinecarboxylic acid is 336.09103 g/mol.
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