methyl 2-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetate

C9H8BrN3O3 — CID 68521467

IUPACmethyl 2-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetate
SMILESCOC(=O)Cn1c(=O)[nH]c2cc(Br)cnc21
InChIInChI=1S/C9H8BrN3O3/c1-16-7(14)4-13-8-6(12-9(13)15)2-5(10)3-11-8/h2-3H,4H2,1H3,(H,12,15)
InChIKeyUTDZCGUZOQQZLJ-UHFFFAOYSA-N
MW286.09 g/mol
LogP0.66
Rot. Bonds2

About methyl 2-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetate

methyl 2-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetate (PubChem CID 68521467) has the molecular formula C9H8BrN3O3 and a molecular weight of 286.09 g/mol. Its IUPAC name is methyl 2-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetate
PubChem CID68521467
Molecular FormulaC9H8BrN3O3
Molecular Weight286.09 g/mol
Exact Mass284.97
IUPAC Namemethyl 2-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetate
SMILESCOC(=O)Cn1c(=O)[nH]c2cc(Br)cnc21
InChIInChI=1S/C9H8BrN3O3/c1-16-7(14)4-13-8-6(12-9(13)15)2-5(10)3-11-8/h2-3H,4H2,1H3,(H,12,15)
InChIKeyUTDZCGUZOQQZLJ-UHFFFAOYSA-N
XLogP0.66
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.09
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetate?
The IUPAC name of methyl 2-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetate (CID 68521467) is methyl 2-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetate.
What is the SMILES notation for methyl 2-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetate?
The canonical SMILES for methyl 2-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetate is COC(=O)Cn1c(=O)[nH]c2cc(Br)cnc21.
What is the InChIKey of methyl 2-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetate?
The InChIKey is UTDZCGUZOQQZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O3/c1-16-7(14)4-13-8-6(12-9(13)15)2-5(10)3-11-8/h2-3H,4H2,1H3,(H,12,15).
What are the key properties of methyl 2-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetate?
methyl 2-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetate has a molecular weight of 286.09 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetate is sourced from PubChem (CID 68521467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).