About [2-(2-fluoro-6-methylphenyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-3,6-dihydro-2H-pyridin-4-yl]oxy-trimethylsilane
[2-(2-fluoro-6-methylphenyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-3,6-dihydro-2H-pyridin-4-yl]oxy-trimethylsilane (PubChem CID 70232462) has the molecular formula C21H24F4N2O3SSi
and a molecular weight of 488.58 g/mol. Its IUPAC name is [2-(2-fluoro-6-methylphenyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-3,6-dihydro-2H-pyridin-4-yl]oxy-trimethylsilane.
Molecular Properties
| Compound Name | [2-(2-fluoro-6-methylphenyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-3,6-dihydro-2H-pyridin-4-yl]oxy-trimethylsilane |
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| PubChem CID | 70232462 |
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| Molecular Formula | C21H24F4N2O3SSi |
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| Molecular Weight | 488.58 g/mol |
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| Exact Mass | 488.12 |
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| IUPAC Name | [2-(2-fluoro-6-methylphenyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-3,6-dihydro-2H-pyridin-4-yl]oxy-trimethylsilane |
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| SMILES | Cc1cccc(F)c1C1CC(O[Si](C)(C)C)=CCN1S(=O)(=O)c1ccc(C(F)(F)F)nc1 |
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| InChI | InChI=1S/C21H24F4N2O3SSi/c1-14-6-5-7-17(22)20(14)18-12-15(30-32(2,3)4)10-11-27(18)31(28,29)16-8-9-19(26-13-16)21(23,24)25/h5-10,13,18H,11-12H2,1-4H3 |
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| InChIKey | QUSACWIIIVZXOW-UHFFFAOYSA-N |
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| XLogP | 5.42 |
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| TPSA | 59.50 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 32 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 488.58 |
| LogP ≤ 5 | 5.42 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [2-(2-fluoro-6-methylphenyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-3,6-dihydro-2H-pyridin-4-yl]oxy-trimethylsilane?
The IUPAC name of [2-(2-fluoro-6-methylphenyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-3,6-dihydro-2H-pyridin-4-yl]oxy-trimethylsilane (CID 70232462) is [2-(2-fluoro-6-methylphenyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-3,6-dihydro-2H-pyridin-4-yl]oxy-trimethylsilane.
What is the SMILES notation for [2-(2-fluoro-6-methylphenyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-3,6-dihydro-2H-pyridin-4-yl]oxy-trimethylsilane?
The canonical SMILES for [2-(2-fluoro-6-methylphenyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-3,6-dihydro-2H-pyridin-4-yl]oxy-trimethylsilane is Cc1cccc(F)c1C1CC(O[Si](C)(C)C)=CCN1S(=O)(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of [2-(2-fluoro-6-methylphenyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-3,6-dihydro-2H-pyridin-4-yl]oxy-trimethylsilane?
The InChIKey is QUSACWIIIVZXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F4N2O3SSi/c1-14-6-5-7-17(22)20(14)18-12-15(30-32(2,3)4)10-11-27(18)31(28,29)16-8-9-19(26-13-16)21(23,24)25/h5-10,13,18H,11-12H2,1-4H3.
What are the key properties of [2-(2-fluoro-6-methylphenyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-3,6-dihydro-2H-pyridin-4-yl]oxy-trimethylsilane?
[2-(2-fluoro-6-methylphenyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-3,6-dihydro-2H-pyridin-4-yl]oxy-trimethylsilane has a molecular weight of 488.58 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoro-6-methylphenyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-3,6-dihydro-2H-pyridin-4-yl]oxy-trimethylsilane is sourced from PubChem (CID 70232462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).