TL;DR: Acetic acid, [(5-chloro-3-nitro-2-pyridinyl)oxy]-, ethyl ester (CAS 105544-27-2) is a chemical compound with molecular formula C9H9ClN2O5 and molecular weight 260.02 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[(5-chloro-3-nitro-2-pyridinyl)oxy]acetate
Also Known As: ETHYL 2-[(5-CHLORO-3-NITROPYRIDIN-2-YL)OXY]ACETATE, ethyl 2-(5-chloro-3-nitropyridin-2-yl)oxyacetate, Acetic acid, [(5-chloro-3-nitro-2-pyridinyl)oxy]-, ethyl ester, ethyl 2-(5-chloro-3-nitro-2-pyridyloxy)acetate, Ethyl [(5-chloro-3-nitropyridin-2-yl)oxy]acetate
| Molecular Formula | C9H9ClN2O5 |
| Molecular Weight | 260.02 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 94.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.02 Da |
| Heavy Atoms | 17 |
| Complexity | 283.0 |
| SMILES | CCOC(=O)COC1=C(C=C(C=N1)Cl)[N+](=O)[O-] |
| InChIKey | RIGHEKDAFCNPND-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, [(5-chloro-3-nitro-2-pyridinyl)oxy]-, ethyl ester. The TPSA of 94.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, [(5-chloro-3-nitro-2-pyridinyl)oxy]-, ethyl ester. Following Lipinski's Rule of Five, Acetic acid, [(5-chloro-3-nitro-2-pyridinyl)oxy]-, ethyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Acetic acid, [(5-chloro-3-nitro-2-pyridinyl)oxy]-, ethyl ester is 105544-27-2.
The molecular formula of Acetic acid, [(5-chloro-3-nitro-2-pyridinyl)oxy]-, ethyl ester is C9H9ClN2O5.
The molecular weight of Acetic acid, [(5-chloro-3-nitro-2-pyridinyl)oxy]-, ethyl ester is 260.02 g/mol.
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