2-methoxyethyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate

C12H14N2O3 — CID 56795161

IUPAC2-methoxyethyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOCCOC(=O)c1nc(C)n2ccccc12
InChIInChI=1S/C12H14N2O3/c1-9-13-11(12(15)17-8-7-16-2)10-5-3-4-6-14(9)10/h3-6H,7-8H2,1-2H3
InChIKeyCWGOLJDUUNWFOJ-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.45
Rot. Bonds4

About 2-methoxyethyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate

2-methoxyethyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 56795161) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-methoxyethyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate
PubChem CID56795161
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-methoxyethyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOCCOC(=O)c1nc(C)n2ccccc12
InChIInChI=1S/C12H14N2O3/c1-9-13-11(12(15)17-8-7-16-2)10-5-3-4-6-14(9)10/h3-6H,7-8H2,1-2H3
InChIKeyCWGOLJDUUNWFOJ-UHFFFAOYSA-N
XLogP1.45
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methoxyethyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of 2-methoxyethyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate (CID 56795161) is 2-methoxyethyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for 2-methoxyethyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for 2-methoxyethyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate is COCCOC(=O)c1nc(C)n2ccccc12.
What is the InChIKey of 2-methoxyethyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is CWGOLJDUUNWFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-9-13-11(12(15)17-8-7-16-2)10-5-3-4-6-14(9)10/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-methoxyethyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate?
2-methoxyethyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 56795161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).