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

C18H9Cl2FN2S — CID 2765263

IUPAC6-(3,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1Sc1ccc(F)cc1
InChIInChI=1S/C18H9Cl2FN2S/c19-15-7-1-11(9-16(15)20)17-8-2-12(10-22)18(23-17)24-14-5-3-13(21)4-6-14/h1-9H
InChIKeyWSVXSYOLODEDPT-UHFFFAOYSA-N
MW375.26 g/mol
LogP6.22
Rot. Bonds3

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

6-(3,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile (PubChem CID 2765263) has the molecular formula C18H9Cl2FN2S and a molecular weight of 375.26 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile
PubChem CID2765263
Molecular FormulaC18H9Cl2FN2S
Molecular Weight375.26 g/mol
Exact Mass373.98
IUPAC Name6-(3,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1Sc1ccc(F)cc1
InChIInChI=1S/C18H9Cl2FN2S/c19-15-7-1-11(9-16(15)20)17-8-2-12(10-22)18(23-17)24-14-5-3-13(21)4-6-14/h1-9H
InChIKeyWSVXSYOLODEDPT-UHFFFAOYSA-N
XLogP6.22
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.26
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile?
The IUPAC name of 6-(3,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile (CID 2765263) is 6-(3,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile?
The canonical SMILES for 6-(3,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile is N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1Sc1ccc(F)cc1.
What is the InChIKey of 6-(3,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile?
The InChIKey is WSVXSYOLODEDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl2FN2S/c19-15-7-1-11(9-16(15)20)17-8-2-12(10-22)18(23-17)24-14-5-3-13(21)4-6-14/h1-9H.
What are the key properties of 6-(3,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile?
6-(3,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile has a molecular weight of 375.26 g/mol, XLogP of 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 2765263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).