[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-oxo-1H-pyridine-3-carboxylate

C15H11F3N2O4 — CID 2352994

IUPAC[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11F3N2O4/c16-15(17,18)9-3-5-10(6-4-9)20-12(21)8-24-14(23)11-2-1-7-19-13(11)22/h1-7H,8H2,(H,19,22)(H,20,21)
InChIKeyLPZCDVFHSQQRNB-UHFFFAOYSA-N
MW340.26 g/mol
LogP2.19
Rot. Bonds4

About [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-oxo-1H-pyridine-3-carboxylate

[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 2352994) has the molecular formula C15H11F3N2O4 and a molecular weight of 340.26 g/mol. Its IUPAC name is [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID2352994
Molecular FormulaC15H11F3N2O4
Molecular Weight340.26 g/mol
Exact Mass340.07
IUPAC Name[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11F3N2O4/c16-15(17,18)9-3-5-10(6-4-9)20-12(21)8-24-14(23)11-2-1-7-19-13(11)22/h1-7H,8H2,(H,19,22)(H,20,21)
InChIKeyLPZCDVFHSQQRNB-UHFFFAOYSA-N
XLogP2.19
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 2352994) is [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-oxo-1H-pyridine-3-carboxylate is O=C(COC(=O)c1ccc[nH]c1=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is LPZCDVFHSQQRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O4/c16-15(17,18)9-3-5-10(6-4-9)20-12(21)8-24-14(23)11-2-1-7-19-13(11)22/h1-7H,8H2,(H,19,22)(H,20,21).
What are the key properties of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-oxo-1H-pyridine-3-carboxylate?
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 340.26 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 2352994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).