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

C9H6ClF3N2O2 — CID 118598768

IUPAC6-chloro-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(C(F)(F)F)NC(=O)c2ccc(Cl)c(=O)n21
InChIInChI=1S/C9H6ClF3N2O2/c1-8(9(11,12)13)14-6(16)5-3-2-4(10)7(17)15(5)8/h2-3H,1H3,(H,14,16)
InChIKeyPMNWRJZRYJAWPI-UHFFFAOYSA-N
MW266.61 g/mol
LogP1.48
Rot. Bonds

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

6-chloro-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 118598768) has the molecular formula C9H6ClF3N2O2 and a molecular weight of 266.61 g/mol. Its IUPAC name is 6-chloro-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name6-chloro-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
PubChem CID118598768
Molecular FormulaC9H6ClF3N2O2
Molecular Weight266.61 g/mol
Exact Mass266.01
IUPAC Name6-chloro-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(C(F)(F)F)NC(=O)c2ccc(Cl)c(=O)n21
InChIInChI=1S/C9H6ClF3N2O2/c1-8(9(11,12)13)14-6(16)5-3-2-4(10)7(17)15(5)8/h2-3H,1H3,(H,14,16)
InChIKeyPMNWRJZRYJAWPI-UHFFFAOYSA-N
XLogP1.48
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.61
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 6-chloro-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 118598768) is 6-chloro-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 6-chloro-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 6-chloro-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione is CC1(C(F)(F)F)NC(=O)c2ccc(Cl)c(=O)n21.
What is the InChIKey of 6-chloro-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is PMNWRJZRYJAWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N2O2/c1-8(9(11,12)13)14-6(16)5-3-2-4(10)7(17)15(5)8/h2-3H,1H3,(H,14,16).
What are the key properties of 6-chloro-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
6-chloro-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 266.61 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 118598768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).