4,6-dimethyl-5-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile

C9H10N2OS — CID 14196565

IUPAC4,6-dimethyl-5-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCSc1c(C)[nH]c(=O)c(C#N)c1C
InChIInChI=1S/C9H10N2OS/c1-5-7(4-10)9(12)11-6(2)8(5)13-3/h1-3H3,(H,11,12)
InChIKeyJQRFFZXODBGXIM-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.59
Rot. Bonds1

About 4,6-dimethyl-5-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile

4,6-dimethyl-5-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 14196565) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 4,6-dimethyl-5-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-5-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID14196565
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name4,6-dimethyl-5-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCSc1c(C)[nH]c(=O)c(C#N)c1C
InChIInChI=1S/C9H10N2OS/c1-5-7(4-10)9(12)11-6(2)8(5)13-3/h1-3H3,(H,11,12)
InChIKeyJQRFFZXODBGXIM-UHFFFAOYSA-N
XLogP1.59
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-5-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile (CID 14196565) is 4,6-dimethyl-5-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-5-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-5-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile is CSc1c(C)[nH]c(=O)c(C#N)c1C.
What is the InChIKey of 4,6-dimethyl-5-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is JQRFFZXODBGXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-5-7(4-10)9(12)11-6(2)8(5)13-3/h1-3H3,(H,11,12).
What are the key properties of 4,6-dimethyl-5-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile?
4,6-dimethyl-5-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 194.26 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 14196565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).