5-bromo-3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

C11H8BrN3S — CID 117141896

IUPAC5-bromo-3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccc(-c2nnc3cccc(Br)n23)s1
InChIInChI=1S/C11H8BrN3S/c1-7-5-6-8(16-7)11-14-13-10-4-2-3-9(12)15(10)11/h2-6H,1H3
InChIKeyZDWVHDKROPUWTL-UHFFFAOYSA-N
MW294.18 g/mol
LogP3.53
Rot. Bonds1

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

5-bromo-3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117141896) has the molecular formula C11H8BrN3S and a molecular weight of 294.18 g/mol. Its IUPAC name is 5-bromo-3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-bromo-3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117141896
Molecular FormulaC11H8BrN3S
Molecular Weight294.18 g/mol
Exact Mass292.96
IUPAC Name5-bromo-3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccc(-c2nnc3cccc(Br)n23)s1
InChIInChI=1S/C11H8BrN3S/c1-7-5-6-8(16-7)11-14-13-10-4-2-3-9(12)15(10)11/h2-6H,1H3
InChIKeyZDWVHDKROPUWTL-UHFFFAOYSA-N
XLogP3.53
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 53.53
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-bromo-3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-bromo-3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117141896) is 5-bromo-3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-bromo-3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-bromo-3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is Cc1ccc(-c2nnc3cccc(Br)n23)s1.
What is the InChIKey of 5-bromo-3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ZDWVHDKROPUWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3S/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-bromo-3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
5-bromo-3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 294.18 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117141896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).