ethyl 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetate

C11H11F3N2O4 — CID 60811915

IUPACethyl 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H11F3N2O4/c1-2-20-8(17)5-15-9(18)6-3-4-7(11(12,13)14)16-10(6)19/h3-4H,2,5H2,1H3,(H,15,18)(H,16,19)
InChIKeySLUCJXJXLWPJGS-UHFFFAOYSA-N
MW292.21 g/mol
LogP0.69
Rot. Bonds4

About ethyl 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetate

ethyl 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetate (PubChem CID 60811915) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is ethyl 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetate
PubChem CID60811915
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC Nameethyl 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H11F3N2O4/c1-2-20-8(17)5-15-9(18)6-3-4-7(11(12,13)14)16-10(6)19/h3-4H,2,5H2,1H3,(H,15,18)(H,16,19)
InChIKeySLUCJXJXLWPJGS-UHFFFAOYSA-N
XLogP0.69
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetate (CID 60811915) is ethyl 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetate is CCOC(=O)CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of ethyl 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetate?
The InChIKey is SLUCJXJXLWPJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c1-2-20-8(17)5-15-9(18)6-3-4-7(11(12,13)14)16-10(6)19/h3-4H,2,5H2,1H3,(H,15,18)(H,16,19).
What are the key properties of ethyl 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetate?
ethyl 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetate has a molecular weight of 292.21 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetate is sourced from PubChem (CID 60811915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).