TL;DR: 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-2-one (CAS 338791-67-6) is a chemical compound with molecular formula C10H8ClF3N2O and molecular weight 264.0277 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one
Also Known As: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-2-one, 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyrrolidinone, 6G-028, 1-[3-Chloro-5-(trifluoromethyl)-2-pyridyl]-2-pyrrolidinone, 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)pyrrolidin-2-one
| Molecular Formula | C10H8ClF3N2O |
| Molecular Weight | 264.0277 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 33.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.0277 Da |
| Heavy Atoms | 17 |
| Complexity | 310.0 |
| SMILES | C1CC(=O)N(C1)C2=C(C=C(C=N2)C(F)(F)F)Cl |
| InChIKey | OJAXBPABTPXUDX-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-2-one. With a topological polar surface area (TPSA) of 33.2 Ų, 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-2-one has 0 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 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-2-one is 338791-67-6.
The molecular formula of 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-2-one is C10H8ClF3N2O.
The molecular weight of 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-2-one is 264.0277 g/mol.
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