6-ethyl-5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile

C9H10N2S — CID 819711

IUPAC6-ethyl-5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
SMILESCCc1[nH]c(=S)c(C#N)cc1C
InChIInChI=1S/C9H10N2S/c1-3-8-6(2)4-7(5-10)9(12)11-8/h4H,3H2,1-2H3,(H,11,12)
InChIKeyVNPLFOUWJMMDOM-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.49
Rot. Bonds1

About 6-ethyl-5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile

6-ethyl-5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile (PubChem CID 819711) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 6-ethyl-5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethyl-5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
PubChem CID819711
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name6-ethyl-5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
SMILESCCc1[nH]c(=S)c(C#N)cc1C
InChIInChI=1S/C9H10N2S/c1-3-8-6(2)4-7(5-10)9(12)11-8/h4H,3H2,1-2H3,(H,11,12)
InChIKeyVNPLFOUWJMMDOM-UHFFFAOYSA-N
XLogP2.49
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_A(54)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-4,5-dimethylbenzonitrile
CID 18728392
6-ethoxy-2-sulfanylidene-1H-quinoline-3-carbonitrile
CID 865249
5-chloro-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 14211659
4-fluoro-5-methylbenzene-1,2-dicarbonitrile
CID 146962290
2-(hydroxymethyl)-4,5-dimethylbenzonitrile
CID 131610761
6-ethyl-5-(2-hydroxyacetyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 70495107
6-(4-propylphenyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
CID 63897912
2-ethyl-4-ethynyl-5-methylbenzonitrile
CID 88988784
4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
CID 676510
5-ethyl-1H-pyrazole-4-carbonitrile
CID 82650960
6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
CID 63898290
benzene-1,2,4,5-tetracarbonitrile
CID 12838

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-ethyl-5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile (CID 819711) is 6-ethyl-5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-ethyl-5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-ethyl-5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile is CCc1[nH]c(=S)c(C#N)cc1C.
What is the InChIKey of 6-ethyl-5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The InChIKey is VNPLFOUWJMMDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-3-8-6(2)4-7(5-10)9(12)11-8/h4H,3H2,1-2H3,(H,11,12).
What are the key properties of 6-ethyl-5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile?
6-ethyl-5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile has a molecular weight of 178.26 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 819711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).