2-ethoxy-5-sulfanylpyridine-3-carbonitrile

C8H8N2OS — CID 137495290

IUPAC2-ethoxy-5-sulfanylpyridine-3-carbonitrile
SMILESCCOc1ncc(S)cc1C#N
InChIInChI=1S/C8H8N2OS/c1-2-11-8-6(4-9)3-7(12)5-10-8/h3,5,12H,2H2,1H3
InChIKeyICGMMAFVMYQPMS-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.64
Rot. Bonds2

About 2-ethoxy-5-sulfanylpyridine-3-carbonitrile

2-ethoxy-5-sulfanylpyridine-3-carbonitrile (PubChem CID 137495290) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 2-ethoxy-5-sulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-ethoxy-5-sulfanylpyridine-3-carbonitrile
PubChem CID137495290
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name2-ethoxy-5-sulfanylpyridine-3-carbonitrile
SMILESCCOc1ncc(S)cc1C#N
InChIInChI=1S/C8H8N2OS/c1-2-11-8-6(4-9)3-7(12)5-10-8/h3,5,12H,2H2,1H3
InChIKeyICGMMAFVMYQPMS-UHFFFAOYSA-N
XLogP1.64
TPSA45.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-propylpyridine-3-carbonitrile
CID 146366204
2-(1-ethoxyisoquinolin-4-yl)benzonitrile
CID 175518146
2-ethoxy-5-nitropyridine-3-carbonitrile;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 160767984
5-amino-2-(3-ethoxyphenoxy)pyridine-3-carbonitrile
CID 62338626
6-ethoxy-4-methylpyridine-3-carbonitrile
CID 84618208
2-methoxypyridine-3,5-dicarbonitrile
CID 84650868
2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile
CID 70050897
5-bromo-2-pentan-3-yloxypyridine-3-carbonitrile
CID 76848523
2-ethoxy-6-formyl-5-nitrosopyridine-3-carbonitrile
CID 88881462
3-ethoxy-2-sulfanylbenzonitrile
CID 91874372
5-ethoxy-2-phenylpyridine-4-carbonitrile
CID 132588886
5-ethoxy-2-hydroxybenzene-1,3-dicarbonitrile
CID 165349723

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-sulfanylpyridine-3-carbonitrile?
The IUPAC name of 2-ethoxy-5-sulfanylpyridine-3-carbonitrile (CID 137495290) is 2-ethoxy-5-sulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 2-ethoxy-5-sulfanylpyridine-3-carbonitrile?
The canonical SMILES for 2-ethoxy-5-sulfanylpyridine-3-carbonitrile is CCOc1ncc(S)cc1C#N.
What is the InChIKey of 2-ethoxy-5-sulfanylpyridine-3-carbonitrile?
The InChIKey is ICGMMAFVMYQPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-2-11-8-6(4-9)3-7(12)5-10-8/h3,5,12H,2H2,1H3.
What are the key properties of 2-ethoxy-5-sulfanylpyridine-3-carbonitrile?
2-ethoxy-5-sulfanylpyridine-3-carbonitrile has a molecular weight of 180.23 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-sulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 137495290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).