2-(4-chlorophenyl)-6-(2,6-dichlorophenyl)-4-methylsulfanylpyridine

C18H12Cl3NS — CID 10134408

IUPAC2-(4-chlorophenyl)-6-(2,6-dichlorophenyl)-4-methylsulfanylpyridine
SMILESCSc1cc(-c2ccc(Cl)cc2)nc(-c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C18H12Cl3NS/c1-23-13-9-16(11-5-7-12(19)8-6-11)22-17(10-13)18-14(20)3-2-4-15(18)21/h2-10H,1H3
InChIKeyDBHPHTYAICTUBM-UHFFFAOYSA-N
MW380.73 g/mol
LogP7.10
Rot. Bonds3

About 2-(4-chlorophenyl)-6-(2,6-dichlorophenyl)-4-methylsulfanylpyridine

2-(4-chlorophenyl)-6-(2,6-dichlorophenyl)-4-methylsulfanylpyridine (PubChem CID 10134408) has the molecular formula C18H12Cl3NS and a molecular weight of 380.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-(2,6-dichlorophenyl)-4-methylsulfanylpyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-(2,6-dichlorophenyl)-4-methylsulfanylpyridine
PubChem CID10134408
Molecular FormulaC18H12Cl3NS
Molecular Weight380.73 g/mol
Exact Mass378.98
IUPAC Name2-(4-chlorophenyl)-6-(2,6-dichlorophenyl)-4-methylsulfanylpyridine
SMILESCSc1cc(-c2ccc(Cl)cc2)nc(-c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C18H12Cl3NS/c1-23-13-9-16(11-5-7-12(19)8-6-11)22-17(10-13)18-14(20)3-2-4-15(18)21/h2-10H,1H3
InChIKeyDBHPHTYAICTUBM-UHFFFAOYSA-N
XLogP7.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.73
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-(2,6-dichlorophenyl)-4-methylsulfanylpyridine?
The IUPAC name of 2-(4-chlorophenyl)-6-(2,6-dichlorophenyl)-4-methylsulfanylpyridine (CID 10134408) is 2-(4-chlorophenyl)-6-(2,6-dichlorophenyl)-4-methylsulfanylpyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-6-(2,6-dichlorophenyl)-4-methylsulfanylpyridine?
The canonical SMILES for 2-(4-chlorophenyl)-6-(2,6-dichlorophenyl)-4-methylsulfanylpyridine is CSc1cc(-c2ccc(Cl)cc2)nc(-c2c(Cl)cccc2Cl)c1.
What is the InChIKey of 2-(4-chlorophenyl)-6-(2,6-dichlorophenyl)-4-methylsulfanylpyridine?
The InChIKey is DBHPHTYAICTUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl3NS/c1-23-13-9-16(11-5-7-12(19)8-6-11)22-17(10-13)18-14(20)3-2-4-15(18)21/h2-10H,1H3.
What are the key properties of 2-(4-chlorophenyl)-6-(2,6-dichlorophenyl)-4-methylsulfanylpyridine?
2-(4-chlorophenyl)-6-(2,6-dichlorophenyl)-4-methylsulfanylpyridine has a molecular weight of 380.73 g/mol, XLogP of 7.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-(2,6-dichlorophenyl)-4-methylsulfanylpyridine is sourced from PubChem (CID 10134408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).