methyl 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylate

C11H11F3N2O4 — CID 24609555

IUPACmethyl 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(CC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O4/c1-20-10(19)7-2-3-9(18)16(4-7)5-8(17)15-6-11(12,13)14/h2-4H,5-6H2,1H3,(H,15,17)
InChIKeyFERBDYWSCAXLJD-UHFFFAOYSA-N
MW292.21 g/mol
LogP0.31
Rot. Bonds4

About methyl 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylate

methyl 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylate (PubChem CID 24609555) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is methyl 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylate
PubChem CID24609555
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC Namemethyl 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(CC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O4/c1-20-10(19)7-2-3-9(18)16(4-7)5-8(17)15-6-11(12,13)14/h2-4H,5-6H2,1H3,(H,15,17)
InChIKeyFERBDYWSCAXLJD-UHFFFAOYSA-N
XLogP0.31
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylate (CID 24609555) is methyl 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylate is COC(=O)c1ccc(=O)n(CC(=O)NCC(F)(F)F)c1.
What is the InChIKey of methyl 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylate?
The InChIKey is FERBDYWSCAXLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c1-20-10(19)7-2-3-9(18)16(4-7)5-8(17)15-6-11(12,13)14/h2-4H,5-6H2,1H3,(H,15,17).
What are the key properties of methyl 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylate?
methyl 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylate has a molecular weight of 292.21 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylate is sourced from PubChem (CID 24609555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).