6-[4-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]pyridine-2-carboxylic acid

C11H10F3N3O3 — CID 122051925

IUPAC6-[4-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CC(=O)N(CC(F)(F)F)C2)n1
InChIInChI=1S/C11H10F3N3O3/c12-11(13,14)5-17-6-16(4-9(17)18)8-3-1-2-7(15-8)10(19)20/h1-3H,4-6H2,(H,19,20)
InChIKeyJJNYKJGSXDOFOS-UHFFFAOYSA-N
MW289.21 g/mol
LogP0.95
Rot. Bonds3

About 6-[4-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]pyridine-2-carboxylic acid

6-[4-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122051925) has the molecular formula C11H10F3N3O3 and a molecular weight of 289.21 g/mol. Its IUPAC name is 6-[4-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]pyridine-2-carboxylic acid
PubChem CID122051925
Molecular FormulaC11H10F3N3O3
Molecular Weight289.21 g/mol
Exact Mass289.07
IUPAC Name6-[4-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CC(=O)N(CC(F)(F)F)C2)n1
InChIInChI=1S/C11H10F3N3O3/c12-11(13,14)5-17-6-16(4-9(17)18)8-3-1-2-7(15-8)10(19)20/h1-3H,4-6H2,(H,19,20)
InChIKeyJJNYKJGSXDOFOS-UHFFFAOYSA-N
XLogP0.95
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]pyridine-2-carboxylic acid (CID 122051925) is 6-[4-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(N2CC(=O)N(CC(F)(F)F)C2)n1.
What is the InChIKey of 6-[4-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is JJNYKJGSXDOFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O3/c12-11(13,14)5-17-6-16(4-9(17)18)8-3-1-2-7(15-8)10(19)20/h1-3H,4-6H2,(H,19,20).
What are the key properties of 6-[4-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]pyridine-2-carboxylic acid?
6-[4-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 289.21 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122051925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).