5-chloro-3-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

C11H8ClN3O — CID 117141885

IUPAC5-chloro-3-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccc(-c2nnc3cccc(Cl)n23)o1
InChIInChI=1S/C11H8ClN3O/c1-7-5-6-8(16-7)11-14-13-10-4-2-3-9(12)15(10)11/h2-6H,1H3
InChIKeyQOWGUWGLQCWGAP-UHFFFAOYSA-N
MW233.66 g/mol
LogP2.95
Rot. Bonds1

About 5-chloro-3-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

5-chloro-3-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117141885) has the molecular formula C11H8ClN3O and a molecular weight of 233.66 g/mol. Its IUPAC name is 5-chloro-3-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-chloro-3-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117141885
Molecular FormulaC11H8ClN3O
Molecular Weight233.66 g/mol
Exact Mass233.04
IUPAC Name5-chloro-3-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccc(-c2nnc3cccc(Cl)n23)o1
InChIInChI=1S/C11H8ClN3O/c1-7-5-6-8(16-7)11-14-13-10-4-2-3-9(12)15(10)11/h2-6H,1H3
InChIKeyQOWGUWGLQCWGAP-UHFFFAOYSA-N
XLogP2.95
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5-chloro-3-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-chloro-3-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117141885) is 5-chloro-3-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-chloro-3-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-chloro-3-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is Cc1ccc(-c2nnc3cccc(Cl)n23)o1.
What is the InChIKey of 5-chloro-3-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is QOWGUWGLQCWGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O/c1-7-5-6-8(16-7)11-14-13-10-4-2-3-9(12)15(10)11/h2-6H,1H3.
What are the key properties of 5-chloro-3-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
5-chloro-3-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 233.66 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117141885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).