3-(2-carboxyethyl)imidazo[1,5-a]pyridine-7-carboxylic acid

C11H10N2O4 — CID 84741033

IUPAC3-(2-carboxyethyl)imidazo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)CCc1ncc2cc(C(=O)O)ccn12
InChIInChI=1S/C11H10N2O4/c14-10(15)2-1-9-12-6-8-5-7(11(16)17)3-4-13(8)9/h3-6H,1-2H2,(H,14,15)(H,16,17)
InChIKeyPEJNCUZLDNOYPX-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.05
Rot. Bonds4

About 3-(2-carboxyethyl)imidazo[1,5-a]pyridine-7-carboxylic acid

3-(2-carboxyethyl)imidazo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 84741033) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 3-(2-carboxyethyl)imidazo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-(2-carboxyethyl)imidazo[1,5-a]pyridine-7-carboxylic acid
PubChem CID84741033
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name3-(2-carboxyethyl)imidazo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)CCc1ncc2cc(C(=O)O)ccn12
InChIInChI=1S/C11H10N2O4/c14-10(15)2-1-9-12-6-8-5-7(11(16)17)3-4-13(8)9/h3-6H,1-2H2,(H,14,15)(H,16,17)
InChIKeyPEJNCUZLDNOYPX-UHFFFAOYSA-N
XLogP1.05
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-carboxyethyl)imidazo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 3-(2-carboxyethyl)imidazo[1,5-a]pyridine-7-carboxylic acid (CID 84741033) is 3-(2-carboxyethyl)imidazo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 3-(2-carboxyethyl)imidazo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 3-(2-carboxyethyl)imidazo[1,5-a]pyridine-7-carboxylic acid is O=C(O)CCc1ncc2cc(C(=O)O)ccn12.
What is the InChIKey of 3-(2-carboxyethyl)imidazo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is PEJNCUZLDNOYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c14-10(15)2-1-9-12-6-8-5-7(11(16)17)3-4-13(8)9/h3-6H,1-2H2,(H,14,15)(H,16,17).
What are the key properties of 3-(2-carboxyethyl)imidazo[1,5-a]pyridine-7-carboxylic acid?
3-(2-carboxyethyl)imidazo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 234.21 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carboxyethyl)imidazo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 84741033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).