2-(2-thiophen-2-ylethynyl)pyridine

C11H7NS — CID 13193702

IUPAC2-(2-thiophen-2-ylethynyl)pyridine
SMILESC(#Cc1cccs1)c1ccccn1
InChIInChI=1S/C11H7NS/c1-2-8-12-10(4-1)6-7-11-5-3-9-13-11/h1-5,8-9H
InChIKeyGKOCDPFADLQMSV-UHFFFAOYSA-N
MW185.25 g/mol
LogP2.54
Rot. Bonds

About 2-(2-thiophen-2-ylethynyl)pyridine

2-(2-thiophen-2-ylethynyl)pyridine (PubChem CID 13193702) has the molecular formula C11H7NS and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylethynyl)pyridine.

Molecular Properties

Compound Name2-(2-thiophen-2-ylethynyl)pyridine
PubChem CID13193702
Molecular FormulaC11H7NS
Molecular Weight185.25 g/mol
Exact Mass185.03
IUPAC Name2-(2-thiophen-2-ylethynyl)pyridine
SMILESC(#Cc1cccs1)c1ccccn1
InChIInChI=1S/C11H7NS/c1-2-8-12-10(4-1)6-7-11-5-3-9-13-11/h1-5,8-9H
InChIKeyGKOCDPFADLQMSV-UHFFFAOYSA-N
XLogP2.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-(2-thiophen-2-ylethynyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylethynyl)pyridine?
The IUPAC name of 2-(2-thiophen-2-ylethynyl)pyridine (CID 13193702) is 2-(2-thiophen-2-ylethynyl)pyridine.
What is the SMILES notation for 2-(2-thiophen-2-ylethynyl)pyridine?
The canonical SMILES for 2-(2-thiophen-2-ylethynyl)pyridine is C(#Cc1cccs1)c1ccccn1.
What is the InChIKey of 2-(2-thiophen-2-ylethynyl)pyridine?
The InChIKey is GKOCDPFADLQMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NS/c1-2-8-12-10(4-1)6-7-11-5-3-9-13-11/h1-5,8-9H.
What are the key properties of 2-(2-thiophen-2-ylethynyl)pyridine?
2-(2-thiophen-2-ylethynyl)pyridine has a molecular weight of 185.25 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylethynyl)pyridine is sourced from PubChem (CID 13193702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).