6-bromo-3-(3-fluorophenyl)-3,8-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione

C15H12BrFN2O2 — CID 118599073

IUPAC6-bromo-3-(3-fluorophenyl)-3,8-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC2(C)c1cccc(F)c1
InChIInChI=1S/C15H12BrFN2O2/c1-8-6-11(16)14(21)19-12(8)13(20)18-15(19,2)9-4-3-5-10(17)7-9/h3-7H,1-2H3,(H,18,20)
InChIKeyHBORWPRLBYTGMJ-UHFFFAOYSA-N
MW351.18 g/mol
LogP2.52
Rot. Bonds1

About 6-bromo-3-(3-fluorophenyl)-3,8-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione

6-bromo-3-(3-fluorophenyl)-3,8-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 118599073) has the molecular formula C15H12BrFN2O2 and a molecular weight of 351.18 g/mol. Its IUPAC name is 6-bromo-3-(3-fluorophenyl)-3,8-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name6-bromo-3-(3-fluorophenyl)-3,8-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione
PubChem CID118599073
Molecular FormulaC15H12BrFN2O2
Molecular Weight351.18 g/mol
Exact Mass350.01
IUPAC Name6-bromo-3-(3-fluorophenyl)-3,8-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC2(C)c1cccc(F)c1
InChIInChI=1S/C15H12BrFN2O2/c1-8-6-11(16)14(21)19-12(8)13(20)18-15(19,2)9-4-3-5-10(17)7-9/h3-7H,1-2H3,(H,18,20)
InChIKeyHBORWPRLBYTGMJ-UHFFFAOYSA-N
XLogP2.52
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.18
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(3-fluorophenyl)-3,8-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 6-bromo-3-(3-fluorophenyl)-3,8-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 118599073) is 6-bromo-3-(3-fluorophenyl)-3,8-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 6-bromo-3-(3-fluorophenyl)-3,8-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 6-bromo-3-(3-fluorophenyl)-3,8-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione is Cc1cc(Br)c(=O)n2c1C(=O)NC2(C)c1cccc(F)c1.
What is the InChIKey of 6-bromo-3-(3-fluorophenyl)-3,8-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is HBORWPRLBYTGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O2/c1-8-6-11(16)14(21)19-12(8)13(20)18-15(19,2)9-4-3-5-10(17)7-9/h3-7H,1-2H3,(H,18,20).
What are the key properties of 6-bromo-3-(3-fluorophenyl)-3,8-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
6-bromo-3-(3-fluorophenyl)-3,8-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 351.18 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(3-fluorophenyl)-3,8-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 118599073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).