2-oxo-N-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C9H6F6N2O3 — CID 81341001

IUPAC2-oxo-N-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NOCC(F)(F)F)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C9H6F6N2O3/c10-8(11,12)3-20-17-7(19)4-1-2-5(9(13,14)15)16-6(4)18/h1-2H,3H2,(H,16,18)(H,17,19)
InChIKeyHDOIJMBMLMILOL-UHFFFAOYSA-N
MW304.15 g/mol
LogP1.62
Rot. Bonds3

About 2-oxo-N-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

2-oxo-N-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 81341001) has the molecular formula C9H6F6N2O3 and a molecular weight of 304.15 g/mol. Its IUPAC name is 2-oxo-N-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID81341001
Molecular FormulaC9H6F6N2O3
Molecular Weight304.15 g/mol
Exact Mass304.03
IUPAC Name2-oxo-N-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NOCC(F)(F)F)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C9H6F6N2O3/c10-8(11,12)3-20-17-7(19)4-1-2-5(9(13,14)15)16-6(4)18/h1-2H,3H2,(H,16,18)(H,17,19)
InChIKeyHDOIJMBMLMILOL-UHFFFAOYSA-N
XLogP1.62
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 81341001) is 2-oxo-N-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NOCC(F)(F)F)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-oxo-N-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is HDOIJMBMLMILOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6N2O3/c10-8(11,12)3-20-17-7(19)4-1-2-5(9(13,14)15)16-6(4)18/h1-2H,3H2,(H,16,18)(H,17,19).
What are the key properties of 2-oxo-N-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-N-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 304.15 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 81341001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).