2,3,5,6-tetrachloro-4-methylsulfinylpyridine

C6H3Cl4NOS — CID 57488627

IUPAC2,3,5,6-tetrachloro-4-methylsulfinylpyridine
SMILESCS(=O)c1c(Cl)c(Cl)nc(Cl)c1Cl
InChIInChI=1S/C6H3Cl4NOS/c1-13(12)4-2(7)5(9)11-6(10)3(4)8/h1H3
InChIKeyLLIGYFMMLRXXKF-UHFFFAOYSA-N
MW278.98 g/mol
LogP3.43
Rot. Bonds1

About 2,3,5,6-tetrachloro-4-methylsulfinylpyridine

2,3,5,6-tetrachloro-4-methylsulfinylpyridine (PubChem CID 57488627) has the molecular formula C6H3Cl4NOS and a molecular weight of 278.98 g/mol. Its IUPAC name is 2,3,5,6-tetrachloro-4-methylsulfinylpyridine.

Molecular Properties

Compound Name2,3,5,6-tetrachloro-4-methylsulfinylpyridine
PubChem CID57488627
Molecular FormulaC6H3Cl4NOS
Molecular Weight278.98 g/mol
Exact Mass276.87
IUPAC Name2,3,5,6-tetrachloro-4-methylsulfinylpyridine
SMILESCS(=O)c1c(Cl)c(Cl)nc(Cl)c1Cl
InChIInChI=1S/C6H3Cl4NOS/c1-13(12)4-2(7)5(9)11-6(10)3(4)8/h1H3
InChIKeyLLIGYFMMLRXXKF-UHFFFAOYSA-N
XLogP3.43
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.98
LogP ≤ 53.43
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 2,3,5,6-tetrachloro-4-methylsulfinylpyridine?
The IUPAC name of 2,3,5,6-tetrachloro-4-methylsulfinylpyridine (CID 57488627) is 2,3,5,6-tetrachloro-4-methylsulfinylpyridine.
What is the SMILES notation for 2,3,5,6-tetrachloro-4-methylsulfinylpyridine?
The canonical SMILES for 2,3,5,6-tetrachloro-4-methylsulfinylpyridine is CS(=O)c1c(Cl)c(Cl)nc(Cl)c1Cl.
What is the InChIKey of 2,3,5,6-tetrachloro-4-methylsulfinylpyridine?
The InChIKey is LLIGYFMMLRXXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl4NOS/c1-13(12)4-2(7)5(9)11-6(10)3(4)8/h1H3.
What are the key properties of 2,3,5,6-tetrachloro-4-methylsulfinylpyridine?
2,3,5,6-tetrachloro-4-methylsulfinylpyridine has a molecular weight of 278.98 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrachloro-4-methylsulfinylpyridine is sourced from PubChem (CID 57488627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).