2-methylsulfinyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile

C17H12N2OS2 — CID 893739

IUPAC2-methylsulfinyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESCS(=O)c1nc(-c2cccs2)cc(-c2ccccc2)c1C#N
InChIInChI=1S/C17H12N2OS2/c1-22(20)17-14(11-18)13(12-6-3-2-4-7-12)10-15(19-17)16-8-5-9-21-16/h2-10H,1H3
InChIKeyWNCLZJZWLGYQRG-UHFFFAOYSA-N
MW324.43 g/mol
LogP4.09
Rot. Bonds3

About 2-methylsulfinyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile

2-methylsulfinyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 893739) has the molecular formula C17H12N2OS2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-methylsulfinyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methylsulfinyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID893739
Molecular FormulaC17H12N2OS2
Molecular Weight324.43 g/mol
Exact Mass324.04
IUPAC Name2-methylsulfinyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESCS(=O)c1nc(-c2cccs2)cc(-c2ccccc2)c1C#N
InChIInChI=1S/C17H12N2OS2/c1-22(20)17-14(11-18)13(12-6-3-2-4-7-12)10-15(19-17)16-8-5-9-21-16/h2-10H,1H3
InChIKeyWNCLZJZWLGYQRG-UHFFFAOYSA-N
XLogP4.09
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfinyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-methylsulfinyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile (CID 893739) is 2-methylsulfinyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-methylsulfinyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-methylsulfinyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile is CS(=O)c1nc(-c2cccs2)cc(-c2ccccc2)c1C#N.
What is the InChIKey of 2-methylsulfinyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is WNCLZJZWLGYQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OS2/c1-22(20)17-14(11-18)13(12-6-3-2-4-7-12)10-15(19-17)16-8-5-9-21-16/h2-10H,1H3.
What are the key properties of 2-methylsulfinyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile?
2-methylsulfinyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 324.43 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfinyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 893739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).