3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid

C11H10N2O4 — CID 59588419

IUPAC3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid
SMILESCCOC(=O)c1cnc2c(C(=O)O)cccn12
InChIInChI=1S/C11H10N2O4/c1-2-17-11(16)8-6-12-9-7(10(14)15)4-3-5-13(8)9/h3-6H,2H2,1H3,(H,14,15)
InChIKeyKGDNYKGRIPKFCJ-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.21
Rot. Bonds3

About 3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid

3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid (PubChem CID 59588419) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid
PubChem CID59588419
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid
SMILESCCOC(=O)c1cnc2c(C(=O)O)cccn12
InChIInChI=1S/C11H10N2O4/c1-2-17-11(16)8-6-12-9-7(10(14)15)4-3-5-13(8)9/h3-6H,2H2,1H3,(H,14,15)
InChIKeyKGDNYKGRIPKFCJ-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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Frequently Asked Questions

What is the IUPAC name of 3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid?
The IUPAC name of 3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid (CID 59588419) is 3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid?
The canonical SMILES for 3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid is CCOC(=O)c1cnc2c(C(=O)O)cccn12.
What is the InChIKey of 3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid?
The InChIKey is KGDNYKGRIPKFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-2-17-11(16)8-6-12-9-7(10(14)15)4-3-5-13(8)9/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of 3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid?
3-ethoxycarbonylimidazo[1,2-a]pyridine-8-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 3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 59588419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).