4-methylsulfanyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile

C11H8N2OS2 — CID 2743463

IUPAC4-methylsulfanyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESCSc1cc(-c2cccs2)[nH]c(=O)c1C#N
InChIInChI=1S/C11H8N2OS2/c1-15-10-5-8(9-3-2-4-16-9)13-11(14)7(10)6-12/h2-5H,1H3,(H,13,14)
InChIKeyAFXHPAQWPHPFBJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.70
Rot. Bonds2

About 4-methylsulfanyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile

4-methylsulfanyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile (PubChem CID 2743463) has the molecular formula C11H8N2OS2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-methylsulfanyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methylsulfanyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
PubChem CID2743463
Molecular FormulaC11H8N2OS2
Molecular Weight248.33 g/mol
Exact Mass248.01
IUPAC Name4-methylsulfanyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESCSc1cc(-c2cccs2)[nH]c(=O)c1C#N
InChIInChI=1S/C11H8N2OS2/c1-15-10-5-8(9-3-2-4-16-9)13-11(14)7(10)6-12/h2-5H,1H3,(H,13,14)
InChIKeyAFXHPAQWPHPFBJ-UHFFFAOYSA-N
XLogP2.70
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-methylsulfanyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile (CID 2743463) is 4-methylsulfanyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-methylsulfanyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-methylsulfanyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile is CSc1cc(-c2cccs2)[nH]c(=O)c1C#N.
What is the InChIKey of 4-methylsulfanyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The InChIKey is AFXHPAQWPHPFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS2/c1-15-10-5-8(9-3-2-4-16-9)13-11(14)7(10)6-12/h2-5H,1H3,(H,13,14).
What are the key properties of 4-methylsulfanyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
4-methylsulfanyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile has a molecular weight of 248.33 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 2743463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).