2-bromo-3-(3-fluorophenyl)-3,8-dimethylimidazo[1,5-a]pyridine-1,5-dione

C15H12BrFN2O2 — CID 175793131

IUPAC2-bromo-3-(3-fluorophenyl)-3,8-dimethylimidazo[1,5-a]pyridine-1,5-dione
SMILESCc1ccc(=O)n2c1C(=O)N(Br)C2(C)c1cccc(F)c1
InChIInChI=1S/C15H12BrFN2O2/c1-9-6-7-12(20)18-13(9)14(21)19(16)15(18,2)10-4-3-5-11(17)8-10/h3-8H,1-2H3
InChIKeyOPXXATXITVDLNM-UHFFFAOYSA-N
MW351.18 g/mol
LogP2.78
Rot. Bonds1

About 2-bromo-3-(3-fluorophenyl)-3,8-dimethylimidazo[1,5-a]pyridine-1,5-dione

2-bromo-3-(3-fluorophenyl)-3,8-dimethylimidazo[1,5-a]pyridine-1,5-dione (PubChem CID 175793131) has the molecular formula C15H12BrFN2O2 and a molecular weight of 351.18 g/mol. Its IUPAC name is 2-bromo-3-(3-fluorophenyl)-3,8-dimethylimidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name2-bromo-3-(3-fluorophenyl)-3,8-dimethylimidazo[1,5-a]pyridine-1,5-dione
PubChem CID175793131
Molecular FormulaC15H12BrFN2O2
Molecular Weight351.18 g/mol
Exact Mass350.01
IUPAC Name2-bromo-3-(3-fluorophenyl)-3,8-dimethylimidazo[1,5-a]pyridine-1,5-dione
SMILESCc1ccc(=O)n2c1C(=O)N(Br)C2(C)c1cccc(F)c1
InChIInChI=1S/C15H12BrFN2O2/c1-9-6-7-12(20)18-13(9)14(21)19(16)15(18,2)10-4-3-5-11(17)8-10/h3-8H,1-2H3
InChIKeyOPXXATXITVDLNM-UHFFFAOYSA-N
XLogP2.78
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.18
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 2-bromo-3-(3-fluorophenyl)-3,8-dimethylimidazo[1,5-a]pyridine-1,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(3-fluorophenyl)-3,8-dimethylimidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 2-bromo-3-(3-fluorophenyl)-3,8-dimethylimidazo[1,5-a]pyridine-1,5-dione (CID 175793131) is 2-bromo-3-(3-fluorophenyl)-3,8-dimethylimidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 2-bromo-3-(3-fluorophenyl)-3,8-dimethylimidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 2-bromo-3-(3-fluorophenyl)-3,8-dimethylimidazo[1,5-a]pyridine-1,5-dione is Cc1ccc(=O)n2c1C(=O)N(Br)C2(C)c1cccc(F)c1.
What is the InChIKey of 2-bromo-3-(3-fluorophenyl)-3,8-dimethylimidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is OPXXATXITVDLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O2/c1-9-6-7-12(20)18-13(9)14(21)19(16)15(18,2)10-4-3-5-11(17)8-10/h3-8H,1-2H3.
What are the key properties of 2-bromo-3-(3-fluorophenyl)-3,8-dimethylimidazo[1,5-a]pyridine-1,5-dione?
2-bromo-3-(3-fluorophenyl)-3,8-dimethylimidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 351.18 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(3-fluorophenyl)-3,8-dimethylimidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 175793131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).