3,6-dimethyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione

C11H11F3N2O2 — CID 147681174

IUPAC3,6-dimethyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCc1ccc2n(c1=O)C(C)(CC(F)(F)F)NC2=O
InChIInChI=1S/C11H11F3N2O2/c1-6-3-4-7-8(17)15-10(2,5-11(12,13)14)16(7)9(6)18/h3-4H,5H2,1-2H3,(H,15,17)
InChIKeyGPDOIKAZQCQMAH-UHFFFAOYSA-N
MW260.21 g/mol
LogP1.53
Rot. Bonds1

About 3,6-dimethyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione

3,6-dimethyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 147681174) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is 3,6-dimethyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name3,6-dimethyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
PubChem CID147681174
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name3,6-dimethyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCc1ccc2n(c1=O)C(C)(CC(F)(F)F)NC2=O
InChIInChI=1S/C11H11F3N2O2/c1-6-3-4-7-8(17)15-10(2,5-11(12,13)14)16(7)9(6)18/h3-4H,5H2,1-2H3,(H,15,17)
InChIKeyGPDOIKAZQCQMAH-UHFFFAOYSA-N
XLogP1.53
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 3,6-dimethyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 147681174) is 3,6-dimethyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 3,6-dimethyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 3,6-dimethyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione is Cc1ccc2n(c1=O)C(C)(CC(F)(F)F)NC2=O.
What is the InChIKey of 3,6-dimethyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is GPDOIKAZQCQMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c1-6-3-4-7-8(17)15-10(2,5-11(12,13)14)16(7)9(6)18/h3-4H,5H2,1-2H3,(H,15,17).
What are the key properties of 3,6-dimethyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
3,6-dimethyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 260.21 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 147681174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).