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

C10H9F3N2O2 — CID 147577728

IUPAC3,6-dimethyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCc1ccc2n(c1=O)C(C)(C(F)(F)F)NC2=O
InChIInChI=1S/C10H9F3N2O2/c1-5-3-4-6-7(16)14-9(2,10(11,12)13)15(6)8(5)17/h3-4H,1-2H3,(H,14,16)
InChIKeyFVUPQBSYVQTNEU-UHFFFAOYSA-N
MW246.19 g/mol
LogP1.14
Rot. Bonds

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

3,6-dimethyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 147577728) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is 3,6-dimethyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name3,6-dimethyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
PubChem CID147577728
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC Name3,6-dimethyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCc1ccc2n(c1=O)C(C)(C(F)(F)F)NC2=O
InChIInChI=1S/C10H9F3N2O2/c1-5-3-4-6-7(16)14-9(2,10(11,12)13)15(6)8(5)17/h3-4H,1-2H3,(H,14,16)
InChIKeyFVUPQBSYVQTNEU-UHFFFAOYSA-N
XLogP1.14
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.14
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-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 3,6-dimethyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 147577728) is 3,6-dimethyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 3,6-dimethyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 3,6-dimethyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione is Cc1ccc2n(c1=O)C(C)(C(F)(F)F)NC2=O.
What is the InChIKey of 3,6-dimethyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is FVUPQBSYVQTNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c1-5-3-4-6-7(16)14-9(2,10(11,12)13)15(6)8(5)17/h3-4H,1-2H3,(H,14,16).
What are the key properties of 3,6-dimethyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
3,6-dimethyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 246.19 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 147577728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).