ethyl 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)acetate

C11H13N3O3 — CID 79474241

IUPACethyl 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)acetate
SMILESCCOC(=O)Cc1nc2nc(OC)ccc2[nH]1
InChIInChI=1S/C11H13N3O3/c1-3-17-10(15)6-8-12-7-4-5-9(16-2)14-11(7)13-8/h4-5H,3,6H2,1-2H3,(H,12,13,14)
InChIKeyBLROXJXPGHCWKL-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.07
Rot. Bonds4

About ethyl 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)acetate

ethyl 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)acetate (PubChem CID 79474241) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is ethyl 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)acetate
PubChem CID79474241
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Nameethyl 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)acetate
SMILESCCOC(=O)Cc1nc2nc(OC)ccc2[nH]1
InChIInChI=1S/C11H13N3O3/c1-3-17-10(15)6-8-12-7-4-5-9(16-2)14-11(7)13-8/h4-5H,3,6H2,1-2H3,(H,12,13,14)
InChIKeyBLROXJXPGHCWKL-UHFFFAOYSA-N
XLogP1.07
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)acetate?
The IUPAC name of ethyl 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)acetate (CID 79474241) is ethyl 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)acetate?
The canonical SMILES for ethyl 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)acetate is CCOC(=O)Cc1nc2nc(OC)ccc2[nH]1.
What is the InChIKey of ethyl 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)acetate?
The InChIKey is BLROXJXPGHCWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-3-17-10(15)6-8-12-7-4-5-9(16-2)14-11(7)13-8/h4-5H,3,6H2,1-2H3,(H,12,13,14).
What are the key properties of ethyl 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)acetate?
ethyl 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)acetate has a molecular weight of 235.24 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)acetate is sourced from PubChem (CID 79474241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).