2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-4H-1,3,4-oxadiazin-5-one

C11H9BrN4O2 — CID 14032924

IUPAC2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-4H-1,3,4-oxadiazin-5-one
SMILESCc1nc2ccc(Br)cn2c1C1=NNC(=O)CO1
InChIInChI=1S/C11H9BrN4O2/c1-6-10(11-15-14-9(17)5-18-11)16-4-7(12)2-3-8(16)13-6/h2-4H,5H2,1H3,(H,14,17)
InChIKeyGQBAYWZDKSEJGT-UHFFFAOYSA-N
MW309.12 g/mol
LogP1.21
Rot. Bonds1

About 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-4H-1,3,4-oxadiazin-5-one

2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-4H-1,3,4-oxadiazin-5-one (PubChem CID 14032924) has the molecular formula C11H9BrN4O2 and a molecular weight of 309.12 g/mol. Its IUPAC name is 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-4H-1,3,4-oxadiazin-5-one.

Molecular Properties

Compound Name2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-4H-1,3,4-oxadiazin-5-one
PubChem CID14032924
Molecular FormulaC11H9BrN4O2
Molecular Weight309.12 g/mol
Exact Mass307.99
IUPAC Name2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-4H-1,3,4-oxadiazin-5-one
SMILESCc1nc2ccc(Br)cn2c1C1=NNC(=O)CO1
InChIInChI=1S/C11H9BrN4O2/c1-6-10(11-15-14-9(17)5-18-11)16-4-7(12)2-3-8(16)13-6/h2-4H,5H2,1H3,(H,14,17)
InChIKeyGQBAYWZDKSEJGT-UHFFFAOYSA-N
XLogP1.21
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.12
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-4H-1,3,4-oxadiazin-5-one?
The IUPAC name of 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-4H-1,3,4-oxadiazin-5-one (CID 14032924) is 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-4H-1,3,4-oxadiazin-5-one.
What is the SMILES notation for 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-4H-1,3,4-oxadiazin-5-one?
The canonical SMILES for 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-4H-1,3,4-oxadiazin-5-one is Cc1nc2ccc(Br)cn2c1C1=NNC(=O)CO1.
What is the InChIKey of 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-4H-1,3,4-oxadiazin-5-one?
The InChIKey is GQBAYWZDKSEJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O2/c1-6-10(11-15-14-9(17)5-18-11)16-4-7(12)2-3-8(16)13-6/h2-4H,5H2,1H3,(H,14,17).
What are the key properties of 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-4H-1,3,4-oxadiazin-5-one?
2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-4H-1,3,4-oxadiazin-5-one has a molecular weight of 309.12 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-4H-1,3,4-oxadiazin-5-one is sourced from PubChem (CID 14032924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).