methyl 3-(2-methoxyethyl)imidazo[4,5-b]pyridine-5-carboxylate

C11H13N3O3 — CID 175929279

IUPACmethyl 3-(2-methoxyethyl)imidazo[4,5-b]pyridine-5-carboxylate
SMILESCOCCn1cnc2ccc(C(=O)OC)nc21
InChIInChI=1S/C11H13N3O3/c1-16-6-5-14-7-12-8-3-4-9(11(15)17-2)13-10(8)14/h3-4,7H,5-6H2,1-2H3
InChIKeyUMRKWRLQZZLRHF-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.86
Rot. Bonds4

About methyl 3-(2-methoxyethyl)imidazo[4,5-b]pyridine-5-carboxylate

methyl 3-(2-methoxyethyl)imidazo[4,5-b]pyridine-5-carboxylate (PubChem CID 175929279) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is methyl 3-(2-methoxyethyl)imidazo[4,5-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-methoxyethyl)imidazo[4,5-b]pyridine-5-carboxylate
PubChem CID175929279
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Namemethyl 3-(2-methoxyethyl)imidazo[4,5-b]pyridine-5-carboxylate
SMILESCOCCn1cnc2ccc(C(=O)OC)nc21
InChIInChI=1S/C11H13N3O3/c1-16-6-5-14-7-12-8-3-4-9(11(15)17-2)13-10(8)14/h3-4,7H,5-6H2,1-2H3
InChIKeyUMRKWRLQZZLRHF-UHFFFAOYSA-N
XLogP0.86
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methoxyethyl)imidazo[4,5-b]pyridine-5-carboxylate?
The IUPAC name of methyl 3-(2-methoxyethyl)imidazo[4,5-b]pyridine-5-carboxylate (CID 175929279) is methyl 3-(2-methoxyethyl)imidazo[4,5-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 3-(2-methoxyethyl)imidazo[4,5-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 3-(2-methoxyethyl)imidazo[4,5-b]pyridine-5-carboxylate is COCCn1cnc2ccc(C(=O)OC)nc21.
What is the InChIKey of methyl 3-(2-methoxyethyl)imidazo[4,5-b]pyridine-5-carboxylate?
The InChIKey is UMRKWRLQZZLRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-16-6-5-14-7-12-8-3-4-9(11(15)17-2)13-10(8)14/h3-4,7H,5-6H2,1-2H3.
What are the key properties of methyl 3-(2-methoxyethyl)imidazo[4,5-b]pyridine-5-carboxylate?
methyl 3-(2-methoxyethyl)imidazo[4,5-b]pyridine-5-carboxylate has a molecular weight of 235.24 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methoxyethyl)imidazo[4,5-b]pyridine-5-carboxylate is sourced from PubChem (CID 175929279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).