3-(1-chloroimidazo[1,5-a]pyridin-5-yl)butanoic acid

C11H11ClN2O2 — CID 83898224

IUPAC3-(1-chloroimidazo[1,5-a]pyridin-5-yl)butanoic acid
SMILESCC(CC(=O)O)c1cccc2c(Cl)ncn12
InChIInChI=1S/C11H11ClN2O2/c1-7(5-10(15)16)8-3-2-4-9-11(12)13-6-14(8)9/h2-4,6-7H,5H2,1H3,(H,15,16)
InChIKeyCEMNFEUECBSSJR-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.57
Rot. Bonds3

About 3-(1-chloroimidazo[1,5-a]pyridin-5-yl)butanoic acid

3-(1-chloroimidazo[1,5-a]pyridin-5-yl)butanoic acid (PubChem CID 83898224) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 3-(1-chloroimidazo[1,5-a]pyridin-5-yl)butanoic acid.

Molecular Properties

Compound Name3-(1-chloroimidazo[1,5-a]pyridin-5-yl)butanoic acid
PubChem CID83898224
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name3-(1-chloroimidazo[1,5-a]pyridin-5-yl)butanoic acid
SMILESCC(CC(=O)O)c1cccc2c(Cl)ncn12
InChIInChI=1S/C11H11ClN2O2/c1-7(5-10(15)16)8-3-2-4-9-11(12)13-6-14(8)9/h2-4,6-7H,5H2,1H3,(H,15,16)
InChIKeyCEMNFEUECBSSJR-UHFFFAOYSA-N
XLogP2.57
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-chloroimidazo[1,5-a]pyridin-5-yl)butanoic acid?
The IUPAC name of 3-(1-chloroimidazo[1,5-a]pyridin-5-yl)butanoic acid (CID 83898224) is 3-(1-chloroimidazo[1,5-a]pyridin-5-yl)butanoic acid.
What is the SMILES notation for 3-(1-chloroimidazo[1,5-a]pyridin-5-yl)butanoic acid?
The canonical SMILES for 3-(1-chloroimidazo[1,5-a]pyridin-5-yl)butanoic acid is CC(CC(=O)O)c1cccc2c(Cl)ncn12.
What is the InChIKey of 3-(1-chloroimidazo[1,5-a]pyridin-5-yl)butanoic acid?
The InChIKey is CEMNFEUECBSSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-7(5-10(15)16)8-3-2-4-9-11(12)13-6-14(8)9/h2-4,6-7H,5H2,1H3,(H,15,16).
What are the key properties of 3-(1-chloroimidazo[1,5-a]pyridin-5-yl)butanoic acid?
3-(1-chloroimidazo[1,5-a]pyridin-5-yl)butanoic acid has a molecular weight of 238.67 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloroimidazo[1,5-a]pyridin-5-yl)butanoic acid is sourced from PubChem (CID 83898224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).