2-(diethoxymethyl)-1-ethylimidazo[4,5-b]pyridine

C13H19N3O2 — CID 69231175

IUPAC2-(diethoxymethyl)-1-ethylimidazo[4,5-b]pyridine
SMILESCCOC(OCC)c1nc2ncccc2n1CC
InChIInChI=1S/C13H19N3O2/c1-4-16-10-8-7-9-14-11(10)15-12(16)13(17-5-2)18-6-3/h7-9,13H,4-6H2,1-3H3
InChIKeyXIVOGJNSJMMQHH-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.52
Rot. Bonds6

About 2-(diethoxymethyl)-1-ethylimidazo[4,5-b]pyridine

2-(diethoxymethyl)-1-ethylimidazo[4,5-b]pyridine (PubChem CID 69231175) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(diethoxymethyl)-1-ethylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(diethoxymethyl)-1-ethylimidazo[4,5-b]pyridine
PubChem CID69231175
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(diethoxymethyl)-1-ethylimidazo[4,5-b]pyridine
SMILESCCOC(OCC)c1nc2ncccc2n1CC
InChIInChI=1S/C13H19N3O2/c1-4-16-10-8-7-9-14-11(10)15-12(16)13(17-5-2)18-6-3/h7-9,13H,4-6H2,1-3H3
InChIKeyXIVOGJNSJMMQHH-UHFFFAOYSA-N
XLogP2.52
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(diethoxymethyl)-1-ethylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(diethoxymethyl)-1-ethylimidazo[4,5-b]pyridine (CID 69231175) is 2-(diethoxymethyl)-1-ethylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(diethoxymethyl)-1-ethylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(diethoxymethyl)-1-ethylimidazo[4,5-b]pyridine is CCOC(OCC)c1nc2ncccc2n1CC.
What is the InChIKey of 2-(diethoxymethyl)-1-ethylimidazo[4,5-b]pyridine?
The InChIKey is XIVOGJNSJMMQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-4-16-10-8-7-9-14-11(10)15-12(16)13(17-5-2)18-6-3/h7-9,13H,4-6H2,1-3H3.
What are the key properties of 2-(diethoxymethyl)-1-ethylimidazo[4,5-b]pyridine?
2-(diethoxymethyl)-1-ethylimidazo[4,5-b]pyridine has a molecular weight of 249.31 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxymethyl)-1-ethylimidazo[4,5-b]pyridine is sourced from PubChem (CID 69231175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).