5-ethoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid

C11H10N2O4 — CID 155820424

IUPAC5-ethoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCCOC(=O)c1cccc2nc(C(=O)O)cn12
InChIInChI=1S/C11H10N2O4/c1-2-17-11(16)8-4-3-5-9-12-7(10(14)15)6-13(8)9/h3-6H,2H2,1H3,(H,14,15)
InChIKeyNGPBNUSAGVERJT-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.21
Rot. Bonds3

About 5-ethoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid

5-ethoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 155820424) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 5-ethoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-ethoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID155820424
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name5-ethoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCCOC(=O)c1cccc2nc(C(=O)O)cn12
InChIInChI=1S/C11H10N2O4/c1-2-17-11(16)8-4-3-5-9-12-7(10(14)15)6-13(8)9/h3-6H,2H2,1H3,(H,14,15)
InChIKeyNGPBNUSAGVERJT-UHFFFAOYSA-N
XLogP1.21
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-ethoxycarbonylimidazo[1,2-a]pyridin-2-yl)methyl-triphenylphosphanium
CID 87440786
6-ethoxycarbonylpyrrolo[1,2-a]pyrimidine-3-carboxylic acid
CID 146160536
5-methylimidazo[1,2-a]pyridine-2-carbohydrazide
CID 43236612
ethyl 6-chloroimidazo[1,2-a]quinoline-2-carboxylate
CID 12763984
ethyl 2-[(4-cyclobutyl-5-oxotetrazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 166339246
methyl 5-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 135397067
methyl 2-phenylimidazo[1,2-a]pyridine-5-carboxylate
CID 117133039
ethyl 3-bromopyrrolo[1,2-a]pyrimidine-6-carboxylate
CID 135393217
ethyl 1-(2-ethoxycarbonylpyrrol-1-yl)oxypyrrole-2-carboxylate
CID 57142997
methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117255839
(3,3-dimethyl-2-oxobutyl) 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 75412698
ethyl 3-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxylate
CID 13480896

Frequently Asked Questions

What is the IUPAC name of 5-ethoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 5-ethoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid (CID 155820424) is 5-ethoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-ethoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 5-ethoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid is CCOC(=O)c1cccc2nc(C(=O)O)cn12.
What is the InChIKey of 5-ethoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is NGPBNUSAGVERJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-2-17-11(16)8-4-3-5-9-12-7(10(14)15)6-13(8)9/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of 5-ethoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid?
5-ethoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 234.21 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 155820424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).