About [2-(trifluoromethoxy)phenyl]methyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
[2-(trifluoromethoxy)phenyl]methyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate (PubChem CID 118694489) has the molecular formula C24H23ClF3NO5
and a molecular weight of 497.90 g/mol. Its IUPAC name is [2-(trifluoromethoxy)phenyl]methyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate.
Molecular Properties
| Compound Name | [2-(trifluoromethoxy)phenyl]methyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate |
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| PubChem CID | 118694489 |
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| Molecular Formula | C24H23ClF3NO5 |
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| Molecular Weight | 497.90 g/mol |
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| Exact Mass | 497.12 |
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| IUPAC Name | [2-(trifluoromethoxy)phenyl]methyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate |
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| SMILES | COCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2OC(F)(F)F)=C1C |
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| InChI | InChI=1S/C24H23ClF3NO5/c1-15-22(23(31)33-14-17-5-3-4-6-20(17)34-24(26,27)28)19(16-7-9-18(25)10-8-16)13-21(30)29(15)11-12-32-2/h3-10,19H,11-14H2,1-2H3 |
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| InChIKey | VYXYRDQIAOQQAX-UHFFFAOYSA-N |
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| XLogP | 5.22 |
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| TPSA | 65.07 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 497.90 |
| LogP ≤ 5 | 5.22 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of [2-(trifluoromethoxy)phenyl]methyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of [2-(trifluoromethoxy)phenyl]methyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate (CID 118694489) is [2-(trifluoromethoxy)phenyl]methyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for [2-(trifluoromethoxy)phenyl]methyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for [2-(trifluoromethoxy)phenyl]methyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate is COCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2OC(F)(F)F)=C1C.
What is the InChIKey of [2-(trifluoromethoxy)phenyl]methyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The InChIKey is VYXYRDQIAOQQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF3NO5/c1-15-22(23(31)33-14-17-5-3-4-6-20(17)34-24(26,27)28)19(16-7-9-18(25)10-8-16)13-21(30)29(15)11-12-32-2/h3-10,19H,11-14H2,1-2H3.
What are the key properties of [2-(trifluoromethoxy)phenyl]methyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
[2-(trifluoromethoxy)phenyl]methyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate has a molecular weight of 497.90 g/mol, XLogP of 5.22, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethoxy)phenyl]methyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 118694489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).