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

C13H9ClN2O — CID 117142200

IUPAC3-(5-chloroimidazo[1,5-a]pyridin-3-yl)phenol
SMILESOc1cccc(-c2ncc3cccc(Cl)n23)c1
InChIInChI=1S/C13H9ClN2O/c14-12-6-2-4-10-8-15-13(16(10)12)9-3-1-5-11(17)7-9/h1-8,17H
InChIKeyAQJGBIPIRRAXTO-UHFFFAOYSA-N
MW244.68 g/mol
LogP3.36
Rot. Bonds1

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

3-(5-chloroimidazo[1,5-a]pyridin-3-yl)phenol (PubChem CID 117142200) has the molecular formula C13H9ClN2O and a molecular weight of 244.68 g/mol. Its IUPAC name is 3-(5-chloroimidazo[1,5-a]pyridin-3-yl)phenol.

Molecular Properties

Compound Name3-(5-chloroimidazo[1,5-a]pyridin-3-yl)phenol
PubChem CID117142200
Molecular FormulaC13H9ClN2O
Molecular Weight244.68 g/mol
Exact Mass244.04
IUPAC Name3-(5-chloroimidazo[1,5-a]pyridin-3-yl)phenol
SMILESOc1cccc(-c2ncc3cccc(Cl)n23)c1
InChIInChI=1S/C13H9ClN2O/c14-12-6-2-4-10-8-15-13(16(10)12)9-3-1-5-11(17)7-9/h1-8,17H
InChIKeyAQJGBIPIRRAXTO-UHFFFAOYSA-N
XLogP3.36
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 53.36
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 3-(5-chloroimidazo[1,5-a]pyridin-3-yl)phenol?
The IUPAC name of 3-(5-chloroimidazo[1,5-a]pyridin-3-yl)phenol (CID 117142200) is 3-(5-chloroimidazo[1,5-a]pyridin-3-yl)phenol.
What is the SMILES notation for 3-(5-chloroimidazo[1,5-a]pyridin-3-yl)phenol?
The canonical SMILES for 3-(5-chloroimidazo[1,5-a]pyridin-3-yl)phenol is Oc1cccc(-c2ncc3cccc(Cl)n23)c1.
What is the InChIKey of 3-(5-chloroimidazo[1,5-a]pyridin-3-yl)phenol?
The InChIKey is AQJGBIPIRRAXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O/c14-12-6-2-4-10-8-15-13(16(10)12)9-3-1-5-11(17)7-9/h1-8,17H.
What are the key properties of 3-(5-chloroimidazo[1,5-a]pyridin-3-yl)phenol?
3-(5-chloroimidazo[1,5-a]pyridin-3-yl)phenol has a molecular weight of 244.68 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloroimidazo[1,5-a]pyridin-3-yl)phenol is sourced from PubChem (CID 117142200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).