ethyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate

C11H12N2O2 — CID 821015

IUPACethyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2c(C)cccc2n1
InChIInChI=1S/C11H12N2O2/c1-3-15-11(14)9-7-13-8(2)5-4-6-10(13)12-9/h4-7H,3H2,1-2H3
InChIKeyXPOOAFBBNVKPCQ-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.82
Rot. Bonds2

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

ethyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 821015) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is ethyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID821015
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Nameethyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2c(C)cccc2n1
InChIInChI=1S/C11H12N2O2/c1-3-15-11(14)9-7-13-8(2)5-4-6-10(13)12-9/h4-7H,3H2,1-2H3
InChIKeyXPOOAFBBNVKPCQ-UHFFFAOYSA-N
XLogP1.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate (CID 821015) is ethyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2c(C)cccc2n1.
What is the InChIKey of ethyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is XPOOAFBBNVKPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-3-15-11(14)9-7-13-8(2)5-4-6-10(13)12-9/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 204.23 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 821015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).