europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;2-pyridin-2-ylpyridine

C27H15EuF3N2O4S — CID 177066115

IUPACeuropium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;2-pyridin-2-ylpyridine
SMILESO=C(c1c(O)c2ccc3c4ccccc4sc3c2oc1=O)C(F)(F)F.[Eu].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C17H7F3O4S.C10H8N2.Eu/c18-17(19,20)15(22)11-12(21)9-6-5-8-7-3-1-2-4-10(7)25-14(8)13(9)24-16(11)23;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-6,21H;1-8H;
InChIKeyKNUXVIOQNYPNFD-UHFFFAOYSA-N
MW672.45 g/mol
LogP6.76
Rot. Bonds2

About europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;2-pyridin-2-ylpyridine

europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;2-pyridin-2-ylpyridine (PubChem CID 177066115) has the molecular formula C27H15EuF3N2O4S and a molecular weight of 672.45 g/mol. Its IUPAC name is europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;2-pyridin-2-ylpyridine.

Molecular Properties

Compound Nameeuropium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;2-pyridin-2-ylpyridine
PubChem CID177066115
Molecular FormulaC27H15EuF3N2O4S
Molecular Weight672.45 g/mol
Exact Mass672.99
IUPAC Nameeuropium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;2-pyridin-2-ylpyridine
SMILESO=C(c1c(O)c2ccc3c4ccccc4sc3c2oc1=O)C(F)(F)F.[Eu].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C17H7F3O4S.C10H8N2.Eu/c18-17(19,20)15(22)11-12(21)9-6-5-8-7-3-1-2-4-10(7)25-14(8)13(9)24-16(11)23;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-6,21H;1-8H;
InChIKeyKNUXVIOQNYPNFD-UHFFFAOYSA-N
XLogP6.76
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.45
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;2-pyridin-2-ylpyridine?
The IUPAC name of europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;2-pyridin-2-ylpyridine (CID 177066115) is europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;2-pyridin-2-ylpyridine.
What is the SMILES notation for europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;2-pyridin-2-ylpyridine?
The canonical SMILES for europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;2-pyridin-2-ylpyridine is O=C(c1c(O)c2ccc3c4ccccc4sc3c2oc1=O)C(F)(F)F.[Eu].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;2-pyridin-2-ylpyridine?
The InChIKey is KNUXVIOQNYPNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H7F3O4S.C10H8N2.Eu/c18-17(19,20)15(22)11-12(21)9-6-5-8-7-3-1-2-4-10(7)25-14(8)13(9)24-16(11)23;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-6,21H;1-8H;.
What are the key properties of europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;2-pyridin-2-ylpyridine?
europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;2-pyridin-2-ylpyridine has a molecular weight of 672.45 g/mol, XLogP of 6.76, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;2-pyridin-2-ylpyridine is sourced from PubChem (CID 177066115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).