About europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;2-methyl-6-(6-methyl-2-pyridinyl)pyridine
europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;2-methyl-6-(6-methyl-2-pyridinyl)pyridine (PubChem CID 177066224) has the molecular formula C27H19EuF3N2O4
and a molecular weight of 644.42 g/mol. Its IUPAC name is europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;2-methyl-6-(6-methyl-2-pyridinyl)pyridine.
Molecular Properties
| Compound Name | europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;2-methyl-6-(6-methyl-2-pyridinyl)pyridine |
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| PubChem CID | 177066224 |
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| Molecular Formula | C27H19EuF3N2O4 |
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| Molecular Weight | 644.42 g/mol |
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| Exact Mass | 645.05 |
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| IUPAC Name | europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;2-methyl-6-(6-methyl-2-pyridinyl)pyridine |
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| SMILES | Cc1cccc(-c2cccc(C)n2)n1.O=C(c1c(O)c2c(ccc3ccccc32)oc1=O)C(F)(F)F.[Eu] |
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| InChI | InChI=1S/C15H7F3O4.C12H12N2.Eu/c16-15(17,18)13(20)11-12(19)10-8-4-2-1-3-7(8)5-6-9(10)22-14(11)21;1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12;/h1-6,19H;3-8H,1-2H3; |
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| InChIKey | WAVXDQJBYMTNFD-UHFFFAOYSA-N |
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| XLogP | 6.16 |
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| TPSA | 93.29 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 644.42 |
| LogP ≤ 5 | 6.16 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;2-methyl-6-(6-methyl-2-pyridinyl)pyridine?
The IUPAC name of europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;2-methyl-6-(6-methyl-2-pyridinyl)pyridine (CID 177066224) is europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;2-methyl-6-(6-methyl-2-pyridinyl)pyridine.
What is the SMILES notation for europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;2-methyl-6-(6-methyl-2-pyridinyl)pyridine?
The canonical SMILES for europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;2-methyl-6-(6-methyl-2-pyridinyl)pyridine is Cc1cccc(-c2cccc(C)n2)n1.O=C(c1c(O)c2c(ccc3ccccc32)oc1=O)C(F)(F)F.[Eu].
What is the InChIKey of europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;2-methyl-6-(6-methyl-2-pyridinyl)pyridine?
The InChIKey is WAVXDQJBYMTNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F3O4.C12H12N2.Eu/c16-15(17,18)13(20)11-12(19)10-8-4-2-1-3-7(8)5-6-9(10)22-14(11)21;1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12;/h1-6,19H;3-8H,1-2H3;.
What are the key properties of europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;2-methyl-6-(6-methyl-2-pyridinyl)pyridine?
europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;2-methyl-6-(6-methyl-2-pyridinyl)pyridine has a molecular weight of 644.42 g/mol, XLogP of 6.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;2-methyl-6-(6-methyl-2-pyridinyl)pyridine is sourced from PubChem (CID 177066224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).