2-(imidazo[4,5-b]pyridin-3-ylmethoxy)ethyl acetate

C11H13N3O3 — CID 68879998

IUPAC2-(imidazo[4,5-b]pyridin-3-ylmethoxy)ethyl acetate
SMILESCC(=O)OCCOCn1cnc2cccnc21
InChIInChI=1S/C11H13N3O3/c1-9(15)17-6-5-16-8-14-7-13-10-3-2-4-12-11(10)14/h2-4,7H,5-6,8H2,1H3
InChIKeyLRMHAXKSFXEJHT-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.97
Rot. Bonds5

About 2-(imidazo[4,5-b]pyridin-3-ylmethoxy)ethyl acetate

2-(imidazo[4,5-b]pyridin-3-ylmethoxy)ethyl acetate (PubChem CID 68879998) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-(imidazo[4,5-b]pyridin-3-ylmethoxy)ethyl acetate.

Molecular Properties

Compound Name2-(imidazo[4,5-b]pyridin-3-ylmethoxy)ethyl acetate
PubChem CID68879998
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-(imidazo[4,5-b]pyridin-3-ylmethoxy)ethyl acetate
SMILESCC(=O)OCCOCn1cnc2cccnc21
InChIInChI=1S/C11H13N3O3/c1-9(15)17-6-5-16-8-14-7-13-10-3-2-4-12-11(10)14/h2-4,7H,5-6,8H2,1H3
InChIKeyLRMHAXKSFXEJHT-UHFFFAOYSA-N
XLogP0.97
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[4,5-b]pyridin-3-ylmethoxy)ethyl acetate?
The IUPAC name of 2-(imidazo[4,5-b]pyridin-3-ylmethoxy)ethyl acetate (CID 68879998) is 2-(imidazo[4,5-b]pyridin-3-ylmethoxy)ethyl acetate.
What is the SMILES notation for 2-(imidazo[4,5-b]pyridin-3-ylmethoxy)ethyl acetate?
The canonical SMILES for 2-(imidazo[4,5-b]pyridin-3-ylmethoxy)ethyl acetate is CC(=O)OCCOCn1cnc2cccnc21.
What is the InChIKey of 2-(imidazo[4,5-b]pyridin-3-ylmethoxy)ethyl acetate?
The InChIKey is LRMHAXKSFXEJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-9(15)17-6-5-16-8-14-7-13-10-3-2-4-12-11(10)14/h2-4,7H,5-6,8H2,1H3.
What are the key properties of 2-(imidazo[4,5-b]pyridin-3-ylmethoxy)ethyl acetate?
2-(imidazo[4,5-b]pyridin-3-ylmethoxy)ethyl acetate has a molecular weight of 235.24 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[4,5-b]pyridin-3-ylmethoxy)ethyl acetate is sourced from PubChem (CID 68879998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).