3-ethylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid

C11H10N2O4 — CID 117252398

IUPAC3-ethylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
SMILESCCc1nc(C(=O)O)c2c(C(=O)O)cccn12
InChIInChI=1S/C11H10N2O4/c1-2-7-12-8(11(16)17)9-6(10(14)15)4-3-5-13(7)9/h3-5H,2H2,1H3,(H,14,15)(H,16,17)
InChIKeyPOTZZNRFPKIVBX-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.29
Rot. Bonds3

About 3-ethylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid

3-ethylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid (PubChem CID 117252398) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 3-ethylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid.

Molecular Properties

Compound Name3-ethylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
PubChem CID117252398
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name3-ethylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
SMILESCCc1nc(C(=O)O)c2c(C(=O)O)cccn12
InChIInChI=1S/C11H10N2O4/c1-2-7-12-8(11(16)17)9-6(10(14)15)4-3-5-13(7)9/h3-5H,2H2,1H3,(H,14,15)(H,16,17)
InChIKeyPOTZZNRFPKIVBX-UHFFFAOYSA-N
XLogP1.29
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid?
The IUPAC name of 3-ethylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid (CID 117252398) is 3-ethylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid.
What is the SMILES notation for 3-ethylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid?
The canonical SMILES for 3-ethylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid is CCc1nc(C(=O)O)c2c(C(=O)O)cccn12.
What is the InChIKey of 3-ethylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid?
The InChIKey is POTZZNRFPKIVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-2-7-12-8(11(16)17)9-6(10(14)15)4-3-5-13(7)9/h3-5H,2H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-ethylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid?
3-ethylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid has a molecular weight of 234.21 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid is sourced from PubChem (CID 117252398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).