2-oxo-1-(thiophen-2-ylmethyl)pyridine-3-carbonitrile

C11H8N2OS — CID 102974949

IUPAC2-oxo-1-(thiophen-2-ylmethyl)pyridine-3-carbonitrile
SMILESN#Cc1cccn(Cc2cccs2)c1=O
InChIInChI=1S/C11H8N2OS/c12-7-9-3-1-5-13(11(9)14)8-10-4-2-6-15-10/h1-6H,8H2
InChIKeyATCVHYPCDMGDPL-UHFFFAOYSA-N
MW216.27 g/mol
LogP1.83
Rot. Bonds2

About 2-oxo-1-(thiophen-2-ylmethyl)pyridine-3-carbonitrile

2-oxo-1-(thiophen-2-ylmethyl)pyridine-3-carbonitrile (PubChem CID 102974949) has the molecular formula C11H8N2OS and a molecular weight of 216.27 g/mol. Its IUPAC name is 2-oxo-1-(thiophen-2-ylmethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-1-(thiophen-2-ylmethyl)pyridine-3-carbonitrile
PubChem CID102974949
Molecular FormulaC11H8N2OS
Molecular Weight216.27 g/mol
Exact Mass216.04
IUPAC Name2-oxo-1-(thiophen-2-ylmethyl)pyridine-3-carbonitrile
SMILESN#Cc1cccn(Cc2cccs2)c1=O
InChIInChI=1S/C11H8N2OS/c12-7-9-3-1-5-13(11(9)14)8-10-4-2-6-15-10/h1-6H,8H2
InChIKeyATCVHYPCDMGDPL-UHFFFAOYSA-N
XLogP1.83
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-oxo-1-(thiophen-2-ylmethyl)pyridine-3-carbonitrile 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-oxo-1-(thiophen-2-ylmethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-1-(thiophen-2-ylmethyl)pyridine-3-carbonitrile (CID 102974949) is 2-oxo-1-(thiophen-2-ylmethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-1-(thiophen-2-ylmethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-1-(thiophen-2-ylmethyl)pyridine-3-carbonitrile is N#Cc1cccn(Cc2cccs2)c1=O.
What is the InChIKey of 2-oxo-1-(thiophen-2-ylmethyl)pyridine-3-carbonitrile?
The InChIKey is ATCVHYPCDMGDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS/c12-7-9-3-1-5-13(11(9)14)8-10-4-2-6-15-10/h1-6H,8H2.
What are the key properties of 2-oxo-1-(thiophen-2-ylmethyl)pyridine-3-carbonitrile?
2-oxo-1-(thiophen-2-ylmethyl)pyridine-3-carbonitrile has a molecular weight of 216.27 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(thiophen-2-ylmethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 102974949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).