5-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile

C18H10ClFN2S — CID 1479159

IUPAC5-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(Cl)cc2)cnc1Sc1ccc(F)cc1
InChIInChI=1S/C18H10ClFN2S/c19-15-3-1-12(2-4-15)14-9-13(10-21)18(22-11-14)23-17-7-5-16(20)6-8-17/h1-9,11H
InChIKeyZKLAOHLFRPXKBS-UHFFFAOYSA-N
MW340.81 g/mol
LogP5.56
Rot. Bonds3

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

5-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile (PubChem CID 1479159) has the molecular formula C18H10ClFN2S and a molecular weight of 340.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile
PubChem CID1479159
Molecular FormulaC18H10ClFN2S
Molecular Weight340.81 g/mol
Exact Mass340.02
IUPAC Name5-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(Cl)cc2)cnc1Sc1ccc(F)cc1
InChIInChI=1S/C18H10ClFN2S/c19-15-3-1-12(2-4-15)14-9-13(10-21)18(22-11-14)23-17-7-5-16(20)6-8-17/h1-9,11H
InChIKeyZKLAOHLFRPXKBS-UHFFFAOYSA-N
XLogP5.56
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.81
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile?
The IUPAC name of 5-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile (CID 1479159) is 5-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 5-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile?
The canonical SMILES for 5-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile is N#Cc1cc(-c2ccc(Cl)cc2)cnc1Sc1ccc(F)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile?
The InChIKey is ZKLAOHLFRPXKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClFN2S/c19-15-3-1-12(2-4-15)14-9-13(10-21)18(22-11-14)23-17-7-5-16(20)6-8-17/h1-9,11H.
What are the key properties of 5-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile?
5-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile has a molecular weight of 340.81 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 1479159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).