TL;DR: Ethyl 2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate (CAS 1164467-04-2) is a chemical compound with molecular formula C11H10ClF3N2O2 and molecular weight 294.0383 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate
Also Known As: ethyl 2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acrylate, ethyl 2-amino-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]prop-2-enoate
| Molecular Formula | C11H10ClF3N2O2 |
| Molecular Weight | 294.0383 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 65.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.0383 Da |
| Heavy Atoms | 19 |
| Complexity | 360.0 |
| SMILES | CCOC(=O)C(=CC1=C(C=C(C=N1)C(F)(F)F)Cl)N |
| InChIKey | RZHNMHOMHLSMDN-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate. The TPSA of 65.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate. Following Lipinski's Rule of Five, Ethyl 2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethyl 2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate is 1164467-04-2.
The molecular formula of Ethyl 2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate is C11H10ClF3N2O2.
The molecular weight of Ethyl 2-amino-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate is 294.0383 g/mol.
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