6-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylpyridine-3-carbonitrile

C18H10Cl2N2S — CID 2765236

IUPAC6-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylpyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(Cl)cc2)nc1Sc1cccc(Cl)c1
InChIInChI=1S/C18H10Cl2N2S/c19-14-7-4-12(5-8-14)17-9-6-13(11-21)18(22-17)23-16-3-1-2-15(20)10-16/h1-10H
InChIKeyFEIIPJYHUIFCEI-UHFFFAOYSA-N
MW357.27 g/mol
LogP6.08
Rot. Bonds3

About 6-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylpyridine-3-carbonitrile

6-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylpyridine-3-carbonitrile (PubChem CID 2765236) has the molecular formula C18H10Cl2N2S and a molecular weight of 357.27 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylpyridine-3-carbonitrile
PubChem CID2765236
Molecular FormulaC18H10Cl2N2S
Molecular Weight357.27 g/mol
Exact Mass355.99
IUPAC Name6-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylpyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(Cl)cc2)nc1Sc1cccc(Cl)c1
InChIInChI=1S/C18H10Cl2N2S/c19-14-7-4-12(5-8-14)17-9-6-13(11-21)18(22-17)23-16-3-1-2-15(20)10-16/h1-10H
InChIKeyFEIIPJYHUIFCEI-UHFFFAOYSA-N
XLogP6.08
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.27
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylpyridine-3-carbonitrile?
The IUPAC name of 6-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylpyridine-3-carbonitrile (CID 2765236) is 6-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylpyridine-3-carbonitrile?
The canonical SMILES for 6-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylpyridine-3-carbonitrile is N#Cc1ccc(-c2ccc(Cl)cc2)nc1Sc1cccc(Cl)c1.
What is the InChIKey of 6-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylpyridine-3-carbonitrile?
The InChIKey is FEIIPJYHUIFCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2N2S/c19-14-7-4-12(5-8-14)17-9-6-13(11-21)18(22-17)23-16-3-1-2-15(20)10-16/h1-10H.
What are the key properties of 6-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylpyridine-3-carbonitrile?
6-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylpyridine-3-carbonitrile has a molecular weight of 357.27 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 2765236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).