2-(2,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetonitrile

C13H8Cl2N2S — CID 4318555

IUPAC2-(2,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetonitrile
SMILESN#CC(Sc1ccccn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl2N2S/c14-9-4-5-10(11(15)7-9)12(8-16)18-13-3-1-2-6-17-13/h1-7,12H
InChIKeyIMOARBXBRGEBHD-UHFFFAOYSA-N
MW295.19 g/mol
LogP4.75
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetonitrile

2-(2,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetonitrile (PubChem CID 4318555) has the molecular formula C13H8Cl2N2S and a molecular weight of 295.19 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetonitrile.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetonitrile
PubChem CID4318555
Molecular FormulaC13H8Cl2N2S
Molecular Weight295.19 g/mol
Exact Mass293.98
IUPAC Name2-(2,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetonitrile
SMILESN#CC(Sc1ccccn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl2N2S/c14-9-4-5-10(11(15)7-9)12(8-16)18-13-3-1-2-6-17-13/h1-7,12H
InChIKeyIMOARBXBRGEBHD-UHFFFAOYSA-N
XLogP4.75
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Chloro-4-(2-pyridylthiomethyl)benzenecarbonitrile
CID 726070
{2-[(4-Chlorophenyl)sulfanyl]-3-pyridinyl}acetonitrile
CID 826782
3-[(4-Chlorophenyl)sulfanyl]isonicotinonitrile
CID 1476754
2-[(2-Chlorophenyl)methylsulfanyl]-4-(dimethylamino)pyridine-3-carbonitrile
CID 755898
2-[(2-Pyridinylthio)methyl]benzonitrile
CID 892312
2-[(2,4-Dichlorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridine-3-carbonitrile
CID 1036389
5-(4-Chlorophenyl)-2-(phenylsulfanyl)nicotinonitrile
CID 1479153
2-[(4-Chlorophenyl)sulfanyl]-5-phenylnicotinonitrile
CID 3738180
2-(4-Chlorophenyl)-2-(2-pyridinylsulfanyl)acetonitrile
CID 3849865
2-(2,6-Dichloro-benzylsulfanyl)-6-{[(E)-2-methyl-pyridin-3-ylimino]-methyl}-nicotinonitrile
CID 44371200
3-(2-Chloro-6-fluorophenyl)-2-(2-pyridylsulfonyl)acrylonitrile
CID 5715448
2-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-3-pyridin-2-ylprop-2-enenitrile
CID 329184

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetonitrile?
The IUPAC name of 2-(2,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetonitrile (CID 4318555) is 2-(2,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetonitrile.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetonitrile?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetonitrile is N#CC(Sc1ccccn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetonitrile?
The InChIKey is IMOARBXBRGEBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2S/c14-9-4-5-10(11(15)7-9)12(8-16)18-13-3-1-2-6-17-13/h1-7,12H.
What are the key properties of 2-(2,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetonitrile?
2-(2,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetonitrile has a molecular weight of 295.19 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetonitrile is sourced from PubChem (CID 4318555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).