ethyl 2-(6-bromo-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)acetate

C11H12BrN3O3 — CID 70927429

IUPACethyl 2-(6-bromo-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)acetate
SMILESCCOC(=O)Cn1c(=O)n(C)c2cc(Br)cnc21
InChIInChI=1S/C11H12BrN3O3/c1-3-18-9(16)6-15-10-8(14(2)11(15)17)4-7(12)5-13-10/h4-5H,3,6H2,1-2H3
InChIKeyBJZIRIMIJJZFJD-UHFFFAOYSA-N
MW314.14 g/mol
LogP1.06
Rot. Bonds3

About ethyl 2-(6-bromo-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)acetate

ethyl 2-(6-bromo-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)acetate (PubChem CID 70927429) has the molecular formula C11H12BrN3O3 and a molecular weight of 314.14 g/mol. Its IUPAC name is ethyl 2-(6-bromo-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-bromo-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)acetate
PubChem CID70927429
Molecular FormulaC11H12BrN3O3
Molecular Weight314.14 g/mol
Exact Mass313.01
IUPAC Nameethyl 2-(6-bromo-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)acetate
SMILESCCOC(=O)Cn1c(=O)n(C)c2cc(Br)cnc21
InChIInChI=1S/C11H12BrN3O3/c1-3-18-9(16)6-15-10-8(14(2)11(15)17)4-7(12)5-13-10/h4-5H,3,6H2,1-2H3
InChIKeyBJZIRIMIJJZFJD-UHFFFAOYSA-N
XLogP1.06
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.14
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-bromo-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)acetate?
The IUPAC name of ethyl 2-(6-bromo-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)acetate (CID 70927429) is ethyl 2-(6-bromo-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(6-bromo-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)acetate?
The canonical SMILES for ethyl 2-(6-bromo-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)acetate is CCOC(=O)Cn1c(=O)n(C)c2cc(Br)cnc21.
What is the InChIKey of ethyl 2-(6-bromo-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)acetate?
The InChIKey is BJZIRIMIJJZFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O3/c1-3-18-9(16)6-15-10-8(14(2)11(15)17)4-7(12)5-13-10/h4-5H,3,6H2,1-2H3.
What are the key properties of ethyl 2-(6-bromo-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)acetate?
ethyl 2-(6-bromo-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)acetate has a molecular weight of 314.14 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-bromo-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)acetate is sourced from PubChem (CID 70927429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).