6-bromo-1,3-dimethylimidazo[4,5-b]pyridin-2-one

C16H16Br2N6O2 — CID 139079267

IUPAC6-bromo-1,3-dimethylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(C)c2ncc(Br)cc21.Cn1c(=O)n(C)c2ncc(Br)cc21
InChIInChI=1S/2C8H8BrN3O/c2*1-11-6-3-5(9)4-10-7(6)12(2)8(11)13/h2*3-4H,1-2H3
InChIKeyDNSOIEAFRAXDRG-UHFFFAOYSA-N
MW484.15 g/mol
LogP2.07
Rot. Bonds

About 6-bromo-1,3-dimethylimidazo[4,5-b]pyridin-2-one

6-bromo-1,3-dimethylimidazo[4,5-b]pyridin-2-one (PubChem CID 139079267) has the molecular formula C16H16Br2N6O2 and a molecular weight of 484.15 g/mol. Its IUPAC name is 6-bromo-1,3-dimethylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-bromo-1,3-dimethylimidazo[4,5-b]pyridin-2-one
PubChem CID139079267
Molecular FormulaC16H16Br2N6O2
Molecular Weight484.15 g/mol
Exact Mass481.97
IUPAC Name6-bromo-1,3-dimethylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(C)c2ncc(Br)cc21.Cn1c(=O)n(C)c2ncc(Br)cc21
InChIInChI=1S/2C8H8BrN3O/c2*1-11-6-3-5(9)4-10-7(6)12(2)8(11)13/h2*3-4H,1-2H3
InChIKeyDNSOIEAFRAXDRG-UHFFFAOYSA-N
XLogP2.07
TPSA79.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.15
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,3-dimethylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-bromo-1,3-dimethylimidazo[4,5-b]pyridin-2-one (CID 139079267) is 6-bromo-1,3-dimethylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-bromo-1,3-dimethylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-bromo-1,3-dimethylimidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(C)c2ncc(Br)cc21.Cn1c(=O)n(C)c2ncc(Br)cc21.
What is the InChIKey of 6-bromo-1,3-dimethylimidazo[4,5-b]pyridin-2-one?
The InChIKey is DNSOIEAFRAXDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8BrN3O/c2*1-11-6-3-5(9)4-10-7(6)12(2)8(11)13/h2*3-4H,1-2H3.
What are the key properties of 6-bromo-1,3-dimethylimidazo[4,5-b]pyridin-2-one?
6-bromo-1,3-dimethylimidazo[4,5-b]pyridin-2-one has a molecular weight of 484.15 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,3-dimethylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 139079267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).