6-bromo-8-chloro-3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione

C8H3BrClF3N2O2 — CID 118598617

IUPAC6-bromo-8-chloro-3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione
SMILESO=C1NC(C(F)(F)F)n2c1c(Cl)cc(Br)c2=O
InChIInChI=1S/C8H3BrClF3N2O2/c9-2-1-3(10)4-5(16)14-7(8(11,12)13)15(4)6(2)17/h1,7H,(H,14,16)
InChIKeyFESGIFFXKCQVEC-UHFFFAOYSA-N
MW331.48 g/mol
LogP2.07
Rot. Bonds

About 6-bromo-8-chloro-3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione

6-bromo-8-chloro-3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione (PubChem CID 118598617) has the molecular formula C8H3BrClF3N2O2 and a molecular weight of 331.48 g/mol. Its IUPAC name is 6-bromo-8-chloro-3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name6-bromo-8-chloro-3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione
PubChem CID118598617
Molecular FormulaC8H3BrClF3N2O2
Molecular Weight331.48 g/mol
Exact Mass329.90
IUPAC Name6-bromo-8-chloro-3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione
SMILESO=C1NC(C(F)(F)F)n2c1c(Cl)cc(Br)c2=O
InChIInChI=1S/C8H3BrClF3N2O2/c9-2-1-3(10)4-5(16)14-7(8(11,12)13)15(4)6(2)17/h1,7H,(H,14,16)
InChIKeyFESGIFFXKCQVEC-UHFFFAOYSA-N
XLogP2.07
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chloro-3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 6-bromo-8-chloro-3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione (CID 118598617) is 6-bromo-8-chloro-3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 6-bromo-8-chloro-3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 6-bromo-8-chloro-3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione is O=C1NC(C(F)(F)F)n2c1c(Cl)cc(Br)c2=O.
What is the InChIKey of 6-bromo-8-chloro-3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is FESGIFFXKCQVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrClF3N2O2/c9-2-1-3(10)4-5(16)14-7(8(11,12)13)15(4)6(2)17/h1,7H,(H,14,16).
What are the key properties of 6-bromo-8-chloro-3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione?
6-bromo-8-chloro-3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 331.48 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-chloro-3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 118598617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).