ethyl 8-ethoxyimidazo[1,2-a]pyridine-3-carboxylate

C12H14N2O3 — CID 90090238

IUPACethyl 8-ethoxyimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OCC)cccn12
InChIInChI=1S/C12H14N2O3/c1-3-16-10-6-5-7-14-9(8-13-11(10)14)12(15)17-4-2/h5-8H,3-4H2,1-2H3
InChIKeyILZKVNJRZJAJPE-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.91
Rot. Bonds4

About ethyl 8-ethoxyimidazo[1,2-a]pyridine-3-carboxylate

ethyl 8-ethoxyimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 90090238) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is ethyl 8-ethoxyimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-ethoxyimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID90090238
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Nameethyl 8-ethoxyimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OCC)cccn12
InChIInChI=1S/C12H14N2O3/c1-3-16-10-6-5-7-14-9(8-13-11(10)14)12(15)17-4-2/h5-8H,3-4H2,1-2H3
InChIKeyILZKVNJRZJAJPE-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid
CID 59588419
ethyl 8-tert-butylimidazo[1,2-a]pyridine-3-carboxylate
CID 166563440
ethyl 8-chloroimidazo[1,2-a]pyridine-3-carboxylate;sulfuric acid
CID 91757252
methyl 8-aminoimidazo[1,2-a]pyridine-3-carboxylate
CID 131336795
ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate
CID 59588379
ethyl 7-fluoroimidazo[1,2-a]pyridine-3-carboxylate
CID 67259301
ethyl 1-(2-ethoxycarbonylpyrrol-1-yl)oxypyrrole-2-carboxylate
CID 57142997
ethyl 1H-imidazo[1,2-a]imidazole-5-carboxylate
CID 177179793
2-methyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 112713198
ethyl 2-methyl-3-phenylimidazole-4-carboxylate
CID 134397442
ethyl 6-iodoimidazo[1,2-a]pyridine-3-carboxylate
CID 69203579
ethyl 8-fluoroimidazo[1,5-a]pyridine-3-carboxylate
CID 125113165

Frequently Asked Questions

What is the IUPAC name of ethyl 8-ethoxyimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 8-ethoxyimidazo[1,2-a]pyridine-3-carboxylate (CID 90090238) is ethyl 8-ethoxyimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 8-ethoxyimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 8-ethoxyimidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1cnc2c(OCC)cccn12.
What is the InChIKey of ethyl 8-ethoxyimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is ILZKVNJRZJAJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-3-16-10-6-5-7-14-9(8-13-11(10)14)12(15)17-4-2/h5-8H,3-4H2,1-2H3.
What are the key properties of ethyl 8-ethoxyimidazo[1,2-a]pyridine-3-carboxylate?
ethyl 8-ethoxyimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-ethoxyimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 90090238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).