2-(5-chloroimidazo[1,5-a]pyridin-3-yl)ethanol

C9H9ClN2O — CID 105450329

IUPAC2-(5-chloroimidazo[1,5-a]pyridin-3-yl)ethanol
SMILESOCCc1ncc2cccc(Cl)n12
InChIInChI=1S/C9H9ClN2O/c10-8-3-1-2-7-6-11-9(4-5-13)12(7)8/h1-3,6,13H,4-5H2
InChIKeyQBHYVTKOZDQVFT-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.52
Rot. Bonds2

About 2-(5-chloroimidazo[1,5-a]pyridin-3-yl)ethanol

2-(5-chloroimidazo[1,5-a]pyridin-3-yl)ethanol (PubChem CID 105450329) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 2-(5-chloroimidazo[1,5-a]pyridin-3-yl)ethanol.

Molecular Properties

Compound Name2-(5-chloroimidazo[1,5-a]pyridin-3-yl)ethanol
PubChem CID105450329
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name2-(5-chloroimidazo[1,5-a]pyridin-3-yl)ethanol
SMILESOCCc1ncc2cccc(Cl)n12
InChIInChI=1S/C9H9ClN2O/c10-8-3-1-2-7-6-11-9(4-5-13)12(7)8/h1-3,6,13H,4-5H2
InChIKeyQBHYVTKOZDQVFT-UHFFFAOYSA-N
XLogP1.52
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroimidazo[1,5-a]pyridin-3-yl)ethanol?
The IUPAC name of 2-(5-chloroimidazo[1,5-a]pyridin-3-yl)ethanol (CID 105450329) is 2-(5-chloroimidazo[1,5-a]pyridin-3-yl)ethanol.
What is the SMILES notation for 2-(5-chloroimidazo[1,5-a]pyridin-3-yl)ethanol?
The canonical SMILES for 2-(5-chloroimidazo[1,5-a]pyridin-3-yl)ethanol is OCCc1ncc2cccc(Cl)n12.
What is the InChIKey of 2-(5-chloroimidazo[1,5-a]pyridin-3-yl)ethanol?
The InChIKey is QBHYVTKOZDQVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c10-8-3-1-2-7-6-11-9(4-5-13)12(7)8/h1-3,6,13H,4-5H2.
What are the key properties of 2-(5-chloroimidazo[1,5-a]pyridin-3-yl)ethanol?
2-(5-chloroimidazo[1,5-a]pyridin-3-yl)ethanol has a molecular weight of 196.64 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroimidazo[1,5-a]pyridin-3-yl)ethanol is sourced from PubChem (CID 105450329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).