TL;DR: 2,6-Dichloro-4-(trifluoromethyl)nicotinamide (CAS 158063-54-8) is a chemical compound with molecular formula C7H3Cl2F3N2O and molecular weight 257.95746 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxamide
Also Known As: 2,6-dichloro-4-(trifluoromethyl)nicotinamide, Methophenazine, 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxamide, 7933AA, 3-Pyridinecarboxamide, 2,6-dichloro-4-(trifluoromethyl)-
| Molecular Formula | C7H3Cl2F3N2O |
| Molecular Weight | 257.95746 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 56.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.95746 Da |
| Heavy Atoms | 15 |
| Complexity | 261.0 |
| SMILES | C1=C(C(=C(N=C1Cl)Cl)C(=O)N)C(F)(F)F |
| InChIKey | KPMYDDLYJBPUEY-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dichloro-4-(trifluoromethyl)nicotinamide. With a topological polar surface area (TPSA) of 56.0 Ų, 2,6-Dichloro-4-(trifluoromethyl)nicotinamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dichloro-4-(trifluoromethyl)nicotinamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,6-Dichloro-4-(trifluoromethyl)nicotinamide is 158063-54-8.
The molecular formula of 2,6-Dichloro-4-(trifluoromethyl)nicotinamide is C7H3Cl2F3N2O.
The molecular weight of 2,6-Dichloro-4-(trifluoromethyl)nicotinamide is 257.95746 g/mol.
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