2,3,5,6-tetrachloro-4-(trifluoromethylsulfanyl)pyridine

C6Cl4F3NS — CID 14568470

IUPAC2,3,5,6-tetrachloro-4-(trifluoromethylsulfanyl)pyridine
SMILESFC(F)(F)Sc1c(Cl)c(Cl)nc(Cl)c1Cl
InChIInChI=1S/C6Cl4F3NS/c7-1-3(15-6(11,12)13)2(8)5(10)14-4(1)9
InChIKeyQBPDYGQVALASSQ-UHFFFAOYSA-N
MW316.95 g/mol
LogP5.31
Rot. Bonds1

About 2,3,5,6-tetrachloro-4-(trifluoromethylsulfanyl)pyridine

2,3,5,6-tetrachloro-4-(trifluoromethylsulfanyl)pyridine (PubChem CID 14568470) has the molecular formula C6Cl4F3NS and a molecular weight of 316.95 g/mol. Its IUPAC name is 2,3,5,6-tetrachloro-4-(trifluoromethylsulfanyl)pyridine.

Molecular Properties

Compound Name2,3,5,6-tetrachloro-4-(trifluoromethylsulfanyl)pyridine
PubChem CID14568470
Molecular FormulaC6Cl4F3NS
Molecular Weight316.95 g/mol
Exact Mass314.85
IUPAC Name2,3,5,6-tetrachloro-4-(trifluoromethylsulfanyl)pyridine
SMILESFC(F)(F)Sc1c(Cl)c(Cl)nc(Cl)c1Cl
InChIInChI=1S/C6Cl4F3NS/c7-1-3(15-6(11,12)13)2(8)5(10)14-4(1)9
InChIKeyQBPDYGQVALASSQ-UHFFFAOYSA-N
XLogP5.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.95
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3,5,6-tetrachloro-4-(trifluoromethylsulfanyl)pyridine 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 2,3,5,6-tetrachloro-4-(trifluoromethylsulfanyl)pyridine?
The IUPAC name of 2,3,5,6-tetrachloro-4-(trifluoromethylsulfanyl)pyridine (CID 14568470) is 2,3,5,6-tetrachloro-4-(trifluoromethylsulfanyl)pyridine.
What is the SMILES notation for 2,3,5,6-tetrachloro-4-(trifluoromethylsulfanyl)pyridine?
The canonical SMILES for 2,3,5,6-tetrachloro-4-(trifluoromethylsulfanyl)pyridine is FC(F)(F)Sc1c(Cl)c(Cl)nc(Cl)c1Cl.
What is the InChIKey of 2,3,5,6-tetrachloro-4-(trifluoromethylsulfanyl)pyridine?
The InChIKey is QBPDYGQVALASSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Cl4F3NS/c7-1-3(15-6(11,12)13)2(8)5(10)14-4(1)9.
What are the key properties of 2,3,5,6-tetrachloro-4-(trifluoromethylsulfanyl)pyridine?
2,3,5,6-tetrachloro-4-(trifluoromethylsulfanyl)pyridine has a molecular weight of 316.95 g/mol, XLogP of 5.31, 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-(trifluoromethylsulfanyl)pyridine is sourced from PubChem (CID 14568470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).