2-chloro-4-(2,4-dichlorophenyl)sulfanylpyridine

C11H6Cl3NS — CID 143519694

IUPAC2-chloro-4-(2,4-dichlorophenyl)sulfanylpyridine
SMILESClc1ccc(Sc2ccnc(Cl)c2)c(Cl)c1
InChIInChI=1S/C11H6Cl3NS/c12-7-1-2-10(9(13)5-7)16-8-3-4-15-11(14)6-8/h1-6H
InChIKeyIBRVGLLOFVQELB-UHFFFAOYSA-N
MW290.60 g/mol
LogP5.19
Rot. Bonds2

About 2-chloro-4-(2,4-dichlorophenyl)sulfanylpyridine

2-chloro-4-(2,4-dichlorophenyl)sulfanylpyridine (PubChem CID 143519694) has the molecular formula C11H6Cl3NS and a molecular weight of 290.60 g/mol. Its IUPAC name is 2-chloro-4-(2,4-dichlorophenyl)sulfanylpyridine.

Molecular Properties

Compound Name2-chloro-4-(2,4-dichlorophenyl)sulfanylpyridine
PubChem CID143519694
Molecular FormulaC11H6Cl3NS
Molecular Weight290.60 g/mol
Exact Mass288.93
IUPAC Name2-chloro-4-(2,4-dichlorophenyl)sulfanylpyridine
SMILESClc1ccc(Sc2ccnc(Cl)c2)c(Cl)c1
InChIInChI=1S/C11H6Cl3NS/c12-7-1-2-10(9(13)5-7)16-8-3-4-15-11(14)6-8/h1-6H
InChIKeyIBRVGLLOFVQELB-UHFFFAOYSA-N
XLogP5.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.60
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,4-dichlorophenyl)sulfanylpyridine?
The IUPAC name of 2-chloro-4-(2,4-dichlorophenyl)sulfanylpyridine (CID 143519694) is 2-chloro-4-(2,4-dichlorophenyl)sulfanylpyridine.
What is the SMILES notation for 2-chloro-4-(2,4-dichlorophenyl)sulfanylpyridine?
The canonical SMILES for 2-chloro-4-(2,4-dichlorophenyl)sulfanylpyridine is Clc1ccc(Sc2ccnc(Cl)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(2,4-dichlorophenyl)sulfanylpyridine?
The InChIKey is IBRVGLLOFVQELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3NS/c12-7-1-2-10(9(13)5-7)16-8-3-4-15-11(14)6-8/h1-6H.
What are the key properties of 2-chloro-4-(2,4-dichlorophenyl)sulfanylpyridine?
2-chloro-4-(2,4-dichlorophenyl)sulfanylpyridine has a molecular weight of 290.60 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,4-dichlorophenyl)sulfanylpyridine is sourced from PubChem (CID 143519694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).