3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione

C8H5F3N2O2 — CID 175768709

IUPAC3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione
SMILESO=C1NC(C(F)(F)F)n2c1cccc2=O
InChIInChI=1S/C8H5F3N2O2/c9-8(10,11)7-12-6(15)4-2-1-3-5(14)13(4)7/h1-3,7H,(H,12,15)
InChIKeyOJCMHVUCBKETDV-UHFFFAOYSA-N
MW218.13 g/mol
LogP0.65
Rot. Bonds

About 3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione

3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione (PubChem CID 175768709) has the molecular formula C8H5F3N2O2 and a molecular weight of 218.13 g/mol. Its IUPAC name is 3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione
PubChem CID175768709
Molecular FormulaC8H5F3N2O2
Molecular Weight218.13 g/mol
Exact Mass218.03
IUPAC Name3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione
SMILESO=C1NC(C(F)(F)F)n2c1cccc2=O
InChIInChI=1S/C8H5F3N2O2/c9-8(10,11)7-12-6(15)4-2-1-3-5(14)13(4)7/h1-3,7H,(H,12,15)
InChIKeyOJCMHVUCBKETDV-UHFFFAOYSA-N
XLogP0.65
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione (CID 175768709) is 3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione is O=C1NC(C(F)(F)F)n2c1cccc2=O.
What is the InChIKey of 3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is OJCMHVUCBKETDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O2/c9-8(10,11)7-12-6(15)4-2-1-3-5(14)13(4)7/h1-3,7H,(H,12,15).
What are the key properties of 3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione?
3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 218.13 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 175768709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).