TL;DR: Methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxo-1,6-dihydro-3-pyridinecarboxylate (CAS 108664-62-6) is a chemical compound with molecular formula C15H12ClNO4 and molecular weight 305.04547 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxopyridine-3-carboxylate
Also Known As: 8E-373S, methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxo-1,6-dihydro-3-pyridinecarboxylate, methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxopyridine-3-carboxylate, methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxo-1,6-dihydropyridine-3-carboxylate, methyl 1-[2-(4-chlorophenyl)-2-oxo-ethyl]-6-oxo-pyridine-3-carboxylate
| Molecular Formula | C15H12ClNO4 |
| Molecular Weight | 305.04547 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.04547 Da |
| Heavy Atoms | 21 |
| Complexity | 504.0 |
| SMILES | COC(=O)C1=CN(C(=O)C=C1)CC(=O)C2=CC=C(C=C2)Cl |
| InChIKey | OSYSNQCTIKZGEA-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxo-1,6-dihydro-3-pyridinecarboxylate. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxo-1,6-dihydro-3-pyridinecarboxylate. Following Lipinski's Rule of Five, Methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxo-1,6-dihydro-3-pyridinecarboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxo-1,6-dihydro-3-pyridinecarboxylate is 108664-62-6.
The molecular formula of Methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxo-1,6-dihydro-3-pyridinecarboxylate is C15H12ClNO4.
The molecular weight of Methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxo-1,6-dihydro-3-pyridinecarboxylate is 305.04547 g/mol.
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