2-(2-thiophen-3-ylethynyl)pyridine

C11H7NS — CID 10397518

IUPAC2-(2-thiophen-3-ylethynyl)pyridine
SMILESC(#Cc1ccccn1)c1ccsc1
InChIInChI=1S/C11H7NS/c1-2-7-12-11(3-1)5-4-10-6-8-13-9-10/h1-3,6-9H
InChIKeyQOVVGZYARJPLNY-UHFFFAOYSA-N
MW185.25 g/mol
LogP2.54
Rot. Bonds

About 2-(2-thiophen-3-ylethynyl)pyridine

2-(2-thiophen-3-ylethynyl)pyridine (PubChem CID 10397518) has the molecular formula C11H7NS and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-(2-thiophen-3-ylethynyl)pyridine.

Molecular Properties

Compound Name2-(2-thiophen-3-ylethynyl)pyridine
PubChem CID10397518
Molecular FormulaC11H7NS
Molecular Weight185.25 g/mol
Exact Mass185.03
IUPAC Name2-(2-thiophen-3-ylethynyl)pyridine
SMILESC(#Cc1ccccn1)c1ccsc1
InChIInChI=1S/C11H7NS/c1-2-7-12-11(3-1)5-4-10-6-8-13-9-10/h1-3,6-9H
InChIKeyQOVVGZYARJPLNY-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-3-ylethynyl)pyridine?
The IUPAC name of 2-(2-thiophen-3-ylethynyl)pyridine (CID 10397518) is 2-(2-thiophen-3-ylethynyl)pyridine.
What is the SMILES notation for 2-(2-thiophen-3-ylethynyl)pyridine?
The canonical SMILES for 2-(2-thiophen-3-ylethynyl)pyridine is C(#Cc1ccccn1)c1ccsc1.
What is the InChIKey of 2-(2-thiophen-3-ylethynyl)pyridine?
The InChIKey is QOVVGZYARJPLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NS/c1-2-7-12-11(3-1)5-4-10-6-8-13-9-10/h1-3,6-9H.
What are the key properties of 2-(2-thiophen-3-ylethynyl)pyridine?
2-(2-thiophen-3-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-3-ylethynyl)pyridine is sourced from PubChem (CID 10397518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).