2-ethylsulfanyl-6-phenylpyridine-3-carbonitrile

C14H12N2S — CID 791804

IUPAC2-ethylsulfanyl-6-phenylpyridine-3-carbonitrile
SMILESCCSc1nc(-c2ccccc2)ccc1C#N
InChIInChI=1S/C14H12N2S/c1-2-17-14-12(10-15)8-9-13(16-14)11-6-4-3-5-7-11/h3-9H,2H2,1H3
InChIKeyVYZBWLJFHAQVCY-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.73
Rot. Bonds3

About 2-ethylsulfanyl-6-phenylpyridine-3-carbonitrile

2-ethylsulfanyl-6-phenylpyridine-3-carbonitrile (PubChem CID 791804) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-ethylsulfanyl-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-ethylsulfanyl-6-phenylpyridine-3-carbonitrile
PubChem CID791804
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name2-ethylsulfanyl-6-phenylpyridine-3-carbonitrile
SMILESCCSc1nc(-c2ccccc2)ccc1C#N
InChIInChI=1S/C14H12N2S/c1-2-17-14-12(10-15)8-9-13(16-14)11-6-4-3-5-7-11/h3-9H,2H2,1H3
InChIKeyVYZBWLJFHAQVCY-UHFFFAOYSA-N
XLogP3.73
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-ethylsulfanyl-6-phenylpyridine-3-carbonitrile (CID 791804) is 2-ethylsulfanyl-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-ethylsulfanyl-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-ethylsulfanyl-6-phenylpyridine-3-carbonitrile is CCSc1nc(-c2ccccc2)ccc1C#N.
What is the InChIKey of 2-ethylsulfanyl-6-phenylpyridine-3-carbonitrile?
The InChIKey is VYZBWLJFHAQVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-2-17-14-12(10-15)8-9-13(16-14)11-6-4-3-5-7-11/h3-9H,2H2,1H3.
What are the key properties of 2-ethylsulfanyl-6-phenylpyridine-3-carbonitrile?
2-ethylsulfanyl-6-phenylpyridine-3-carbonitrile has a molecular weight of 240.33 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 791804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).