3-(2-carboxyethyl)-8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid

C11H9ClN2O4 — CID 117255108

IUPAC3-(2-carboxyethyl)-8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)CCc1nc(C(=O)O)c2c(Cl)cccn12
InChIInChI=1S/C11H9ClN2O4/c12-6-2-1-5-14-7(3-4-8(15)16)13-9(10(6)14)11(17)18/h1-2,5H,3-4H2,(H,15,16)(H,17,18)
InChIKeyRQRRNUJEJFTVRK-UHFFFAOYSA-N
MW268.66 g/mol
LogP1.70
Rot. Bonds4

About 3-(2-carboxyethyl)-8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid

3-(2-carboxyethyl)-8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117255108) has the molecular formula C11H9ClN2O4 and a molecular weight of 268.66 g/mol. Its IUPAC name is 3-(2-carboxyethyl)-8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-carboxyethyl)-8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117255108
Molecular FormulaC11H9ClN2O4
Molecular Weight268.66 g/mol
Exact Mass268.03
IUPAC Name3-(2-carboxyethyl)-8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)CCc1nc(C(=O)O)c2c(Cl)cccn12
InChIInChI=1S/C11H9ClN2O4/c12-6-2-1-5-14-7(3-4-8(15)16)13-9(10(6)14)11(17)18/h1-2,5H,3-4H2,(H,15,16)(H,17,18)
InChIKeyRQRRNUJEJFTVRK-UHFFFAOYSA-N
XLogP1.70
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.66
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-carboxyethyl)-8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-(2-carboxyethyl)-8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid (CID 117255108) is 3-(2-carboxyethyl)-8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-(2-carboxyethyl)-8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-(2-carboxyethyl)-8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid is O=C(O)CCc1nc(C(=O)O)c2c(Cl)cccn12.
What is the InChIKey of 3-(2-carboxyethyl)-8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is RQRRNUJEJFTVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O4/c12-6-2-1-5-14-7(3-4-8(15)16)13-9(10(6)14)11(17)18/h1-2,5H,3-4H2,(H,15,16)(H,17,18).
What are the key properties of 3-(2-carboxyethyl)-8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid?
3-(2-carboxyethyl)-8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 268.66 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carboxyethyl)-8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117255108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).