TL;DR: 2-Hydroxy-4-(trifluoromethyl)pyridine (CAS 50650-59-4) is a chemical compound with molecular formula C6H4F3NO and molecular weight 163.0245 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(trifluoromethyl)-1H-pyridin-2-one
Also Known As: 2-Hydroxy-4-(trifluoromethyl)pyridine, 4-(trifluoromethyl)pyridin-2-ol, 4-(trifluoromethyl)pyridin-2(1h)-one, 4-trifluoromethyl-pyridin-2-ol, 4-(trifluoromethyl)-1H-pyridin-2-one
| Molecular Formula | C6H4F3NO |
| Molecular Weight | 163.0245 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.0245 Da |
| Heavy Atoms | 11 |
| Complexity | 239.0 |
| SMILES | C1=CNC(=O)C=C1C(F)(F)F |
| InChIKey | IKHLLNMSMFVTLP-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-4-(trifluoromethyl)pyridine. With a topological polar surface area (TPSA) of 29.1 Ų, 2-Hydroxy-4-(trifluoromethyl)pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxy-4-(trifluoromethyl)pyridine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Hydroxy-4-(trifluoromethyl)pyridine is 50650-59-4.
The molecular formula of 2-Hydroxy-4-(trifluoromethyl)pyridine is C6H4F3NO.
The molecular weight of 2-Hydroxy-4-(trifluoromethyl)pyridine is 163.0245 g/mol.
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