6-bromo-8-chloro-3-methyl-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridine-1,5-dione

C15H9BrClF3N2O2 — CID 118598706

IUPAC6-bromo-8-chloro-3-methyl-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(c2cccc(C(F)(F)F)c2)NC(=O)c2c(Cl)cc(Br)c(=O)n21
InChIInChI=1S/C15H9BrClF3N2O2/c1-14(7-3-2-4-8(5-7)15(18,19)20)21-12(23)11-10(17)6-9(16)13(24)22(11)14/h2-6H,1H3,(H,21,23)
InChIKeyXPLWOCAPSSTDMH-UHFFFAOYSA-N
MW421.60 g/mol
LogP3.75
Rot. Bonds1

About 6-bromo-8-chloro-3-methyl-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridine-1,5-dione

6-bromo-8-chloro-3-methyl-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 118598706) has the molecular formula C15H9BrClF3N2O2 and a molecular weight of 421.60 g/mol. Its IUPAC name is 6-bromo-8-chloro-3-methyl-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name6-bromo-8-chloro-3-methyl-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridine-1,5-dione
PubChem CID118598706
Molecular FormulaC15H9BrClF3N2O2
Molecular Weight421.60 g/mol
Exact Mass419.95
IUPAC Name6-bromo-8-chloro-3-methyl-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(c2cccc(C(F)(F)F)c2)NC(=O)c2c(Cl)cc(Br)c(=O)n21
InChIInChI=1S/C15H9BrClF3N2O2/c1-14(7-3-2-4-8(5-7)15(18,19)20)21-12(23)11-10(17)6-9(16)13(24)22(11)14/h2-6H,1H3,(H,21,23)
InChIKeyXPLWOCAPSSTDMH-UHFFFAOYSA-N
XLogP3.75
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.60
LogP ≤ 53.75
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-methyl-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 6-bromo-8-chloro-3-methyl-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 118598706) is 6-bromo-8-chloro-3-methyl-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 6-bromo-8-chloro-3-methyl-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 6-bromo-8-chloro-3-methyl-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridine-1,5-dione is CC1(c2cccc(C(F)(F)F)c2)NC(=O)c2c(Cl)cc(Br)c(=O)n21.
What is the InChIKey of 6-bromo-8-chloro-3-methyl-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is XPLWOCAPSSTDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClF3N2O2/c1-14(7-3-2-4-8(5-7)15(18,19)20)21-12(23)11-10(17)6-9(16)13(24)22(11)14/h2-6H,1H3,(H,21,23).
What are the key properties of 6-bromo-8-chloro-3-methyl-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridine-1,5-dione?
6-bromo-8-chloro-3-methyl-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 421.60 g/mol, XLogP of 3.75, 1 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-methyl-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 118598706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).