5-(2-phenylethylsulfanyl)pyridine-2-carbonitrile

C14H12N2S — CID 54542104

IUPAC5-(2-phenylethylsulfanyl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(SCCc2ccccc2)cn1
InChIInChI=1S/C14H12N2S/c15-10-13-6-7-14(11-16-13)17-9-8-12-4-2-1-3-5-12/h1-7,11H,8-9H2
InChIKeyZDYGHEJNZFNVBR-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.29
Rot. Bonds4

About 5-(2-phenylethylsulfanyl)pyridine-2-carbonitrile

5-(2-phenylethylsulfanyl)pyridine-2-carbonitrile (PubChem CID 54542104) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 5-(2-phenylethylsulfanyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(2-phenylethylsulfanyl)pyridine-2-carbonitrile
PubChem CID54542104
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name5-(2-phenylethylsulfanyl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(SCCc2ccccc2)cn1
InChIInChI=1S/C14H12N2S/c15-10-13-6-7-14(11-16-13)17-9-8-12-4-2-1-3-5-12/h1-7,11H,8-9H2
InChIKeyZDYGHEJNZFNVBR-UHFFFAOYSA-N
XLogP3.29
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethylsulfanyl)pyridine-2-carbonitrile?
The IUPAC name of 5-(2-phenylethylsulfanyl)pyridine-2-carbonitrile (CID 54542104) is 5-(2-phenylethylsulfanyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(2-phenylethylsulfanyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(2-phenylethylsulfanyl)pyridine-2-carbonitrile is N#Cc1ccc(SCCc2ccccc2)cn1.
What is the InChIKey of 5-(2-phenylethylsulfanyl)pyridine-2-carbonitrile?
The InChIKey is ZDYGHEJNZFNVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c15-10-13-6-7-14(11-16-13)17-9-8-12-4-2-1-3-5-12/h1-7,11H,8-9H2.
What are the key properties of 5-(2-phenylethylsulfanyl)pyridine-2-carbonitrile?
5-(2-phenylethylsulfanyl)pyridine-2-carbonitrile has a molecular weight of 240.33 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethylsulfanyl)pyridine-2-carbonitrile is sourced from PubChem (CID 54542104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).