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

C10H9F3N2O4 — CID 3911456

IUPAC[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)NCC(F)(F)F
InChIInChI=1S/C10H9F3N2O4/c11-10(12,13)5-15-7(16)4-19-9(18)6-2-1-3-14-8(6)17/h1-3H,4-5H2,(H,14,17)(H,15,16)
InChIKeyBGULEYXGMJFPHT-UHFFFAOYSA-N
MW278.19 g/mol
LogP0.21
Rot. Bonds4

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

[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 3911456) has the molecular formula C10H9F3N2O4 and a molecular weight of 278.19 g/mol. Its IUPAC name is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID3911456
Molecular FormulaC10H9F3N2O4
Molecular Weight278.19 g/mol
Exact Mass278.05
IUPAC Name[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)NCC(F)(F)F
InChIInChI=1S/C10H9F3N2O4/c11-10(12,13)5-15-7(16)4-19-9(18)6-2-1-3-14-8(6)17/h1-3H,4-5H2,(H,14,17)(H,15,16)
InChIKeyBGULEYXGMJFPHT-UHFFFAOYSA-N
XLogP0.21
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 3911456) is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate is O=C(COC(=O)c1ccc[nH]c1=O)NCC(F)(F)F.
What is the InChIKey of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is BGULEYXGMJFPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O4/c11-10(12,13)5-15-7(16)4-19-9(18)6-2-1-3-14-8(6)17/h1-3H,4-5H2,(H,14,17)(H,15,16).
What are the key properties of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 278.19 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 3911456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).