TL;DR: 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl}cyclopropane-1-carboxylic acid (CAS 1023559-02-5) is a chemical compound with molecular formula C15H15ClF3N3O3 and molecular weight 377.0754 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
Also Known As: 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl}cyclopropane-1-carboxylic acid, 2-((4-(3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDYL)PIPERAZINYL)CARBONYL)CYCLOPROPANECARBOXYLIC ACID, 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carboxylic acid, 2-({4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}carbonyl)cyclopropanecarboxylic acid, 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]cyclopropanecarboxylic acid
| Molecular Formula | C15H15ClF3N3O3 |
| Molecular Weight | 377.0754 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 73.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.0754 Da |
| Heavy Atoms | 25 |
| Complexity | 540.0 |
| SMILES | C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)C3CC3C(=O)O |
| InChIKey | OKYZVMGAXGSTOV-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl}cyclopropane-1-carboxylic acid. The TPSA of 73.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl}cyclopropane-1-carboxylic acid. Following Lipinski's Rule of Five, 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl}cyclopropane-1-carboxylic acid has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl}cyclopropane-1-carboxylic acid is 1023559-02-5.
The molecular formula of 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl}cyclopropane-1-carboxylic acid is C15H15ClF3N3O3.
The molecular weight of 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl}cyclopropane-1-carboxylic acid is 377.0754 g/mol.
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