6-bromo-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;ethane

C12H17BrN2O2 — CID 162431077

IUPAC6-bromo-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;ethane
SMILESCC.Cc1cc(Br)c(=O)n2c1C(=O)NC2(C)C
InChIInChI=1S/C10H11BrN2O2.C2H6/c1-5-4-6(11)9(15)13-7(5)8(14)12-10(13,2)3;1-2/h4H,1-3H3,(H,12,14);1-2H3
InChIKeyXZDMRRSLTJIWLQ-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.38
Rot. Bonds

About 6-bromo-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;ethane

6-bromo-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;ethane (PubChem CID 162431077) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 6-bromo-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;ethane.

Molecular Properties

Compound Name6-bromo-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;ethane
PubChem CID162431077
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name6-bromo-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;ethane
SMILESCC.Cc1cc(Br)c(=O)n2c1C(=O)NC2(C)C
InChIInChI=1S/C10H11BrN2O2.C2H6/c1-5-4-6(11)9(15)13-7(5)8(14)12-10(13,2)3;1-2/h4H,1-3H3,(H,12,14);1-2H3
InChIKeyXZDMRRSLTJIWLQ-UHFFFAOYSA-N
XLogP2.38
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;ethane?
The IUPAC name of 6-bromo-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;ethane (CID 162431077) is 6-bromo-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;ethane.
What is the SMILES notation for 6-bromo-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;ethane?
The canonical SMILES for 6-bromo-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;ethane is CC.Cc1cc(Br)c(=O)n2c1C(=O)NC2(C)C.
What is the InChIKey of 6-bromo-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;ethane?
The InChIKey is XZDMRRSLTJIWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2.C2H6/c1-5-4-6(11)9(15)13-7(5)8(14)12-10(13,2)3;1-2/h4H,1-3H3,(H,12,14);1-2H3.
What are the key properties of 6-bromo-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;ethane?
6-bromo-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;ethane has a molecular weight of 301.18 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;ethane is sourced from PubChem (CID 162431077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).