2-[(2,4-dichlorophenyl)methylsulfanyl]-4,6-diphenylpyridine-3-carbonitrile

C25H16Cl2N2S — CID 3133258

IUPAC2-[(2,4-dichlorophenyl)methylsulfanyl]-4,6-diphenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H16Cl2N2S/c26-20-12-11-19(23(27)13-20)16-30-25-22(15-28)21(17-7-3-1-4-8-17)14-24(29-25)18-9-5-2-6-10-18/h1-14H,16H2
InChIKeyRKEZKYWFSDFBBN-UHFFFAOYSA-N
MW447.39 g/mol
LogP7.89
Rot. Bonds5

About 2-[(2,4-dichlorophenyl)methylsulfanyl]-4,6-diphenylpyridine-3-carbonitrile

2-[(2,4-dichlorophenyl)methylsulfanyl]-4,6-diphenylpyridine-3-carbonitrile (PubChem CID 3133258) has the molecular formula C25H16Cl2N2S and a molecular weight of 447.39 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methylsulfanyl]-4,6-diphenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methylsulfanyl]-4,6-diphenylpyridine-3-carbonitrile
PubChem CID3133258
Molecular FormulaC25H16Cl2N2S
Molecular Weight447.39 g/mol
Exact Mass446.04
IUPAC Name2-[(2,4-dichlorophenyl)methylsulfanyl]-4,6-diphenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H16Cl2N2S/c26-20-12-11-19(23(27)13-20)16-30-25-22(15-28)21(17-7-3-1-4-8-17)14-24(29-25)18-9-5-2-6-10-18/h1-14H,16H2
InChIKeyRKEZKYWFSDFBBN-UHFFFAOYSA-N
XLogP7.89
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.39
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyridine-3-carbonitrile, 2-(2-chloro-6-fluorobenzylthio)-6-(2-thienyl)-
CID 632275
[4-(4-Chloro-phenyl)-3-cyano-6-phenyl-pyridin-2-ylsulfanyl]-acetic acid
CID 1117435
2-(Ethylsulfanyl)-4,6-diphenylnicotinonitrile
CID 1731287
5-(4-Chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenylthio)nicotinonitrile
CID 10311095
2-Butan-2-ylsulfanyl-5-(2,4-dichlorophenyl)-3,6-diethylpyrazine
CID 22248970
2-(4-Chloro-benzylsulfanyl)-5,6,7,8-tetrahydro-quinoline-3-carbonitrile
CID 697581
2-[(2,4-Dichlorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridine-3-carbonitrile
CID 1036389
2-({2-[(4-Chlorobenzyl)sulfonyl]ethyl}thio)-4,6-dimethylnicotinonitrile
CID 1160042
2-[(3-chlorobenzyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 1773874
2-({[(4-Chlorobenzyl)sulfinyl]methyl}thio)-4,6-dimethylnicotinonitrile
CID 3245806
2-({3-[(4-Chlorophenyl)methanesulfonyl]-2-hydroxypropyl}sulfanyl)-4,6-diphenylpyridine-3-carbonitrile
CID 3343656
(Z)-2-(2,4-dichlorophenyl)-3-[2-(methylsulfanyl)-3-quinolinyl]-2-propenenitrile
CID 5939214

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methylsulfanyl]-4,6-diphenylpyridine-3-carbonitrile?
The IUPAC name of 2-[(2,4-dichlorophenyl)methylsulfanyl]-4,6-diphenylpyridine-3-carbonitrile (CID 3133258) is 2-[(2,4-dichlorophenyl)methylsulfanyl]-4,6-diphenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methylsulfanyl]-4,6-diphenylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methylsulfanyl]-4,6-diphenylpyridine-3-carbonitrile is N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methylsulfanyl]-4,6-diphenylpyridine-3-carbonitrile?
The InChIKey is RKEZKYWFSDFBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl2N2S/c26-20-12-11-19(23(27)13-20)16-30-25-22(15-28)21(17-7-3-1-4-8-17)14-24(29-25)18-9-5-2-6-10-18/h1-14H,16H2.
What are the key properties of 2-[(2,4-dichlorophenyl)methylsulfanyl]-4,6-diphenylpyridine-3-carbonitrile?
2-[(2,4-dichlorophenyl)methylsulfanyl]-4,6-diphenylpyridine-3-carbonitrile has a molecular weight of 447.39 g/mol, XLogP of 7.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methylsulfanyl]-4,6-diphenylpyridine-3-carbonitrile is sourced from PubChem (CID 3133258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).