ethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid

C20H24FNO6 — CID 146424705

IUPACethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid
SMILESCC(C)c1cc(C(=O)O)c(=O)n(-c2ccc(F)cc2)c1C(=O)O.CCOCC
InChIInChI=1S/C16H14FNO5.C4H10O/c1-8(2)11-7-12(15(20)21)14(19)18(13(11)16(22)23)10-5-3-9(17)4-6-10;1-3-5-4-2/h3-8H,1-2H3,(H,20,21)(H,22,23);3-4H2,1-2H3
InChIKeyKQGJJANWFZCVGN-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.54
Rot. Bonds6

About ethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid

ethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid (PubChem CID 146424705) has the molecular formula C20H24FNO6 and a molecular weight of 393.41 g/mol. Its IUPAC name is ethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid.

Molecular Properties

Compound Nameethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid
PubChem CID146424705
Molecular FormulaC20H24FNO6
Molecular Weight393.41 g/mol
Exact Mass393.16
IUPAC Nameethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid
SMILESCC(C)c1cc(C(=O)O)c(=O)n(-c2ccc(F)cc2)c1C(=O)O.CCOCC
InChIInChI=1S/C16H14FNO5.C4H10O/c1-8(2)11-7-12(15(20)21)14(19)18(13(11)16(22)23)10-5-3-9(17)4-6-10;1-3-5-4-2/h3-8H,1-2H3,(H,20,21)(H,22,23);3-4H2,1-2H3
InChIKeyKQGJJANWFZCVGN-UHFFFAOYSA-N
XLogP3.54
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid?
The IUPAC name of ethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid (CID 146424705) is ethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid.
What is the SMILES notation for ethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid?
The canonical SMILES for ethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid is CC(C)c1cc(C(=O)O)c(=O)n(-c2ccc(F)cc2)c1C(=O)O.CCOCC.
What is the InChIKey of ethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid?
The InChIKey is KQGJJANWFZCVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO5.C4H10O/c1-8(2)11-7-12(15(20)21)14(19)18(13(11)16(22)23)10-5-3-9(17)4-6-10;1-3-5-4-2/h3-8H,1-2H3,(H,20,21)(H,22,23);3-4H2,1-2H3.
What are the key properties of ethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid?
ethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid has a molecular weight of 393.41 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid is sourced from PubChem (CID 146424705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).