5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile

C24H12Cl3FN2S — CID 10311095

IUPAC5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1Sc1ccc(F)cc1
InChIInChI=1S/C24H12Cl3FN2S/c25-16-3-1-14(2-4-16)21-11-15(13-29)24(31-19-8-6-18(28)7-9-19)30-23(21)20-10-5-17(26)12-22(20)27/h1-12H
InChIKeyZODUEYNVTIAXJD-UHFFFAOYSA-N
MW485.80 g/mol
LogP8.54
Rot. Bonds4

About 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile

5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile (PubChem CID 10311095) has the molecular formula C24H12Cl3FN2S and a molecular weight of 485.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile
PubChem CID10311095
Molecular FormulaC24H12Cl3FN2S
Molecular Weight485.80 g/mol
Exact Mass483.98
IUPAC Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1Sc1ccc(F)cc1
InChIInChI=1S/C24H12Cl3FN2S/c25-16-3-1-14(2-4-16)21-11-15(13-29)24(31-19-8-6-18(28)7-9-19)30-23(21)20-10-5-17(26)12-22(20)27/h1-12H
InChIKeyZODUEYNVTIAXJD-UHFFFAOYSA-N
XLogP8.54
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.80
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile?
The IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile (CID 10311095) is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile?
The canonical SMILES for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile is N#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1Sc1ccc(F)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile?
The InChIKey is ZODUEYNVTIAXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12Cl3FN2S/c25-16-3-1-14(2-4-16)21-11-15(13-29)24(31-19-8-6-18(28)7-9-19)30-23(21)20-10-5-17(26)12-22(20)27/h1-12H.
What are the key properties of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile?
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile has a molecular weight of 485.80 g/mol, XLogP of 8.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 10311095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).