4-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C8H7F3N2O2 — CID 154280654

IUPAC4-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESNC(=O)c1cn(CC(F)(F)F)ccc1=O
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)4-13-2-1-6(14)5(3-13)7(12)15/h1-3H,4H2,(H2,12,15)
InChIKeyFNNOIEUKTMKZGG-UHFFFAOYSA-N
MW220.15 g/mol
LogP0.51
Rot. Bonds2

About 4-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

4-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 154280654) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 4-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID154280654
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name4-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESNC(=O)c1cn(CC(F)(F)F)ccc1=O
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)4-13-2-1-6(14)5(3-13)7(12)15/h1-3H,4H2,(H2,12,15)
InChIKeyFNNOIEUKTMKZGG-UHFFFAOYSA-N
XLogP0.51
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 4-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 154280654) is 4-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is NC(=O)c1cn(CC(F)(F)F)ccc1=O.
What is the InChIKey of 4-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is FNNOIEUKTMKZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c9-8(10,11)4-13-2-1-6(14)5(3-13)7(12)15/h1-3H,4H2,(H2,12,15).
What are the key properties of 4-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
4-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 220.15 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 154280654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).