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

C9H5BrClF3N2O2 — CID 118598824

IUPAC6-bromo-8-chloro-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(C(F)(F)F)NC(=O)c2c(Cl)cc(Br)c(=O)n21
InChIInChI=1S/C9H5BrClF3N2O2/c1-8(9(12,13)14)15-6(17)5-4(11)2-3(10)7(18)16(5)8/h2H,1H3,(H,15,17)
InChIKeyUPJXGTFSHLVMQY-UHFFFAOYSA-N
MW345.50 g/mol
LogP2.24
Rot. Bonds

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

6-bromo-8-chloro-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 118598824) has the molecular formula C9H5BrClF3N2O2 and a molecular weight of 345.50 g/mol. Its IUPAC name is 6-bromo-8-chloro-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name6-bromo-8-chloro-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
PubChem CID118598824
Molecular FormulaC9H5BrClF3N2O2
Molecular Weight345.50 g/mol
Exact Mass343.92
IUPAC Name6-bromo-8-chloro-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(C(F)(F)F)NC(=O)c2c(Cl)cc(Br)c(=O)n21
InChIInChI=1S/C9H5BrClF3N2O2/c1-8(9(12,13)14)15-6(17)5-4(11)2-3(10)7(18)16(5)8/h2H,1H3,(H,15,17)
InChIKeyUPJXGTFSHLVMQY-UHFFFAOYSA-N
XLogP2.24
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.50
LogP ≤ 52.24
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-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 6-bromo-8-chloro-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 118598824) is 6-bromo-8-chloro-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 6-bromo-8-chloro-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 6-bromo-8-chloro-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione is CC1(C(F)(F)F)NC(=O)c2c(Cl)cc(Br)c(=O)n21.
What is the InChIKey of 6-bromo-8-chloro-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is UPJXGTFSHLVMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClF3N2O2/c1-8(9(12,13)14)15-6(17)5-4(11)2-3(10)7(18)16(5)8/h2H,1H3,(H,15,17).
What are the key properties of 6-bromo-8-chloro-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
6-bromo-8-chloro-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 345.50 g/mol, XLogP of 2.24, 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-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 118598824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).