6-bromo-3,3-dimethylimidazo[1,2-a]pyridin-2-one

C9H9BrN2O — CID 16751727

IUPAC6-bromo-3,3-dimethylimidazo[1,2-a]pyridin-2-one
SMILESCC1(C)C(=O)N=C2C=CC(Br)=CN21
InChIInChI=1S/C9H9BrN2O/c1-9(2)8(13)11-7-4-3-6(10)5-12(7)9/h3-5H,1-2H3
InChIKeyDRHQKHZBHWENPB-UHFFFAOYSA-N
MW241.09 g/mol
LogP1.81
Rot. Bonds

About 6-bromo-3,3-dimethylimidazo[1,2-a]pyridin-2-one

6-bromo-3,3-dimethylimidazo[1,2-a]pyridin-2-one (PubChem CID 16751727) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 6-bromo-3,3-dimethylimidazo[1,2-a]pyridin-2-one.

Molecular Properties

Compound Name6-bromo-3,3-dimethylimidazo[1,2-a]pyridin-2-one
PubChem CID16751727
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name6-bromo-3,3-dimethylimidazo[1,2-a]pyridin-2-one
SMILESCC1(C)C(=O)N=C2C=CC(Br)=CN21
InChIInChI=1S/C9H9BrN2O/c1-9(2)8(13)11-7-4-3-6(10)5-12(7)9/h3-5H,1-2H3
InChIKeyDRHQKHZBHWENPB-UHFFFAOYSA-N
XLogP1.81
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,3-dimethylimidazo[1,2-a]pyridin-2-one?
The IUPAC name of 6-bromo-3,3-dimethylimidazo[1,2-a]pyridin-2-one (CID 16751727) is 6-bromo-3,3-dimethylimidazo[1,2-a]pyridin-2-one.
What is the SMILES notation for 6-bromo-3,3-dimethylimidazo[1,2-a]pyridin-2-one?
The canonical SMILES for 6-bromo-3,3-dimethylimidazo[1,2-a]pyridin-2-one is CC1(C)C(=O)N=C2C=CC(Br)=CN21.
What is the InChIKey of 6-bromo-3,3-dimethylimidazo[1,2-a]pyridin-2-one?
The InChIKey is DRHQKHZBHWENPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c1-9(2)8(13)11-7-4-3-6(10)5-12(7)9/h3-5H,1-2H3.
What are the key properties of 6-bromo-3,3-dimethylimidazo[1,2-a]pyridin-2-one?
6-bromo-3,3-dimethylimidazo[1,2-a]pyridin-2-one has a molecular weight of 241.09 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,3-dimethylimidazo[1,2-a]pyridin-2-one is sourced from PubChem (CID 16751727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).