6-(furan-2-yl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile

C11H8N2O2S — CID 2743472

IUPAC6-(furan-2-yl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCSc1cc(-c2ccco2)[nH]c(=O)c1C#N
InChIInChI=1S/C11H8N2O2S/c1-16-10-5-8(9-3-2-4-15-9)13-11(14)7(10)6-12/h2-5H,1H3,(H,13,14)
InChIKeyUDZOHIGKGRQLHH-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.23
Rot. Bonds2

About 6-(furan-2-yl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile

6-(furan-2-yl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 2743472) has the molecular formula C11H8N2O2S and a molecular weight of 232.26 g/mol. Its IUPAC name is 6-(furan-2-yl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(furan-2-yl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID2743472
Molecular FormulaC11H8N2O2S
Molecular Weight232.26 g/mol
Exact Mass232.03
IUPAC Name6-(furan-2-yl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCSc1cc(-c2ccco2)[nH]c(=O)c1C#N
InChIInChI=1S/C11H8N2O2S/c1-16-10-5-8(9-3-2-4-15-9)13-11(14)7(10)6-12/h2-5H,1H3,(H,13,14)
InChIKeyUDZOHIGKGRQLHH-UHFFFAOYSA-N
XLogP2.23
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(furan-2-yl)-4-methylsulfanyl-2-oxo-1H-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 6-(furan-2-yl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(furan-2-yl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile (CID 2743472) is 6-(furan-2-yl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(furan-2-yl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(furan-2-yl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile is CSc1cc(-c2ccco2)[nH]c(=O)c1C#N.
What is the InChIKey of 6-(furan-2-yl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is UDZOHIGKGRQLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2S/c1-16-10-5-8(9-3-2-4-15-9)13-11(14)7(10)6-12/h2-5H,1H3,(H,13,14).
What are the key properties of 6-(furan-2-yl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile?
6-(furan-2-yl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 232.26 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 2743472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).