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

C10H9ClF3N3O2 — CID 134381432

IUPAC6-amino-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(CC(F)(F)F)NC(=O)c2c(Cl)cc(N)c(=O)n21
InChIInChI=1S/C10H9ClF3N3O2/c1-9(3-10(12,13)14)16-7(18)6-4(11)2-5(15)8(19)17(6)9/h2H,3,15H2,1H3,(H,16,18)
InChIKeyLBXMBZIPAQDSMB-UHFFFAOYSA-N
MW295.65 g/mol
LogP1.45
Rot. Bonds1

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

6-amino-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 134381432) has the molecular formula C10H9ClF3N3O2 and a molecular weight of 295.65 g/mol. Its IUPAC name is 6-amino-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name6-amino-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
PubChem CID134381432
Molecular FormulaC10H9ClF3N3O2
Molecular Weight295.65 g/mol
Exact Mass295.03
IUPAC Name6-amino-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(CC(F)(F)F)NC(=O)c2c(Cl)cc(N)c(=O)n21
InChIInChI=1S/C10H9ClF3N3O2/c1-9(3-10(12,13)14)16-7(18)6-4(11)2-5(15)8(19)17(6)9/h2H,3,15H2,1H3,(H,16,18)
InChIKeyLBXMBZIPAQDSMB-UHFFFAOYSA-N
XLogP1.45
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.65
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 6-amino-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 134381432) is 6-amino-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 6-amino-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 6-amino-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione is CC1(CC(F)(F)F)NC(=O)c2c(Cl)cc(N)c(=O)n21.
What is the InChIKey of 6-amino-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is LBXMBZIPAQDSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N3O2/c1-9(3-10(12,13)14)16-7(18)6-4(11)2-5(15)8(19)17(6)9/h2H,3,15H2,1H3,(H,16,18).
What are the key properties of 6-amino-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
6-amino-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 295.65 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 134381432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).