2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-(4-chlorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile

C23H13Cl2FN2S2 — CID 3308674

IUPAC2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-(4-chlorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)cc2)cc(-c2cccs2)nc1SCc1c(F)cccc1Cl
InChIInChI=1S/C23H13Cl2FN2S2/c24-15-8-6-14(7-9-15)16-11-21(22-5-2-10-29-22)28-23(17(16)12-27)30-13-18-19(25)3-1-4-20(18)26/h1-11H,13H2
InChIKeyJICKCQNMGZVUAS-UHFFFAOYSA-N
MW471.41 g/mol
LogP8.09
Rot. Bonds5

About 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-(4-chlorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-(4-chlorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 3308674) has the molecular formula C23H13Cl2FN2S2 and a molecular weight of 471.41 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-(4-chlorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-(4-chlorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID3308674
Molecular FormulaC23H13Cl2FN2S2
Molecular Weight471.41 g/mol
Exact Mass469.99
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-(4-chlorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)cc2)cc(-c2cccs2)nc1SCc1c(F)cccc1Cl
InChIInChI=1S/C23H13Cl2FN2S2/c24-15-8-6-14(7-9-15)16-11-21(22-5-2-10-29-22)28-23(17(16)12-27)30-13-18-19(25)3-1-4-20(18)26/h1-11H,13H2
InChIKeyJICKCQNMGZVUAS-UHFFFAOYSA-N
XLogP8.09
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.41
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-(4-chlorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-(4-chlorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-(4-chlorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile (CID 3308674) is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-(4-chlorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-(4-chlorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-(4-chlorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile is N#Cc1c(-c2ccc(Cl)cc2)cc(-c2cccs2)nc1SCc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-(4-chlorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is JICKCQNMGZVUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13Cl2FN2S2/c24-15-8-6-14(7-9-15)16-11-21(22-5-2-10-29-22)28-23(17(16)12-27)30-13-18-19(25)3-1-4-20(18)26/h1-11H,13H2.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-(4-chlorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile?
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-(4-chlorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 471.41 g/mol, XLogP of 8.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-(4-chlorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 3308674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).