3-benzyl-1-chloroimidazo[1,5-a]pyridine-8-carboxylic acid

C15H11ClN2O2 — CID 117252376

IUPAC3-benzyl-1-chloroimidazo[1,5-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2c(Cc3ccccc3)nc(Cl)c12
InChIInChI=1S/C15H11ClN2O2/c16-14-13-11(15(19)20)7-4-8-18(13)12(17-14)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,19,20)
InChIKeyKBXKDJOKOLTGEO-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.28
Rot. Bonds3

About 3-benzyl-1-chloroimidazo[1,5-a]pyridine-8-carboxylic acid

3-benzyl-1-chloroimidazo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 117252376) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 3-benzyl-1-chloroimidazo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name3-benzyl-1-chloroimidazo[1,5-a]pyridine-8-carboxylic acid
PubChem CID117252376
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name3-benzyl-1-chloroimidazo[1,5-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2c(Cc3ccccc3)nc(Cl)c12
InChIInChI=1S/C15H11ClN2O2/c16-14-13-11(15(19)20)7-4-8-18(13)12(17-14)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,19,20)
InChIKeyKBXKDJOKOLTGEO-UHFFFAOYSA-N
XLogP3.28
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-chloroimidazo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 3-benzyl-1-chloroimidazo[1,5-a]pyridine-8-carboxylic acid (CID 117252376) is 3-benzyl-1-chloroimidazo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 3-benzyl-1-chloroimidazo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 3-benzyl-1-chloroimidazo[1,5-a]pyridine-8-carboxylic acid is O=C(O)c1cccn2c(Cc3ccccc3)nc(Cl)c12.
What is the InChIKey of 3-benzyl-1-chloroimidazo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is KBXKDJOKOLTGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-14-13-11(15(19)20)7-4-8-18(13)12(17-14)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,19,20).
What are the key properties of 3-benzyl-1-chloroimidazo[1,5-a]pyridine-8-carboxylic acid?
3-benzyl-1-chloroimidazo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 286.72 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-chloroimidazo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 117252376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).