6-phenylsulfanylpyridine-3-carbonitrile

C12H8N2S — CID 2737173

IUPAC6-phenylsulfanylpyridine-3-carbonitrile
SMILESN#Cc1ccc(Sc2ccccc2)nc1
InChIInChI=1S/C12H8N2S/c13-8-10-6-7-12(14-9-10)15-11-4-2-1-3-5-11/h1-7,9H
InChIKeyJSDVHTWWMQBBRE-UHFFFAOYSA-N
MW212.28 g/mol
LogP3.10
Rot. Bonds2

About 6-phenylsulfanylpyridine-3-carbonitrile

6-phenylsulfanylpyridine-3-carbonitrile (PubChem CID 2737173) has the molecular formula C12H8N2S and a molecular weight of 212.28 g/mol. Its IUPAC name is 6-phenylsulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-phenylsulfanylpyridine-3-carbonitrile
PubChem CID2737173
Molecular FormulaC12H8N2S
Molecular Weight212.28 g/mol
Exact Mass212.04
IUPAC Name6-phenylsulfanylpyridine-3-carbonitrile
SMILESN#Cc1ccc(Sc2ccccc2)nc1
InChIInChI=1S/C12H8N2S/c13-8-10-6-7-12(14-9-10)15-11-4-2-1-3-5-11/h1-7,9H
InChIKeyJSDVHTWWMQBBRE-UHFFFAOYSA-N
XLogP3.10
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenylsulfanylpyridine-3-carbonitrile?
The IUPAC name of 6-phenylsulfanylpyridine-3-carbonitrile (CID 2737173) is 6-phenylsulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 6-phenylsulfanylpyridine-3-carbonitrile?
The canonical SMILES for 6-phenylsulfanylpyridine-3-carbonitrile is N#Cc1ccc(Sc2ccccc2)nc1.
What is the InChIKey of 6-phenylsulfanylpyridine-3-carbonitrile?
The InChIKey is JSDVHTWWMQBBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2S/c13-8-10-6-7-12(14-9-10)15-11-4-2-1-3-5-11/h1-7,9H.
What are the key properties of 6-phenylsulfanylpyridine-3-carbonitrile?
6-phenylsulfanylpyridine-3-carbonitrile has a molecular weight of 212.28 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylsulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 2737173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).