3-fluoro-4-iodo-5-(trifluoromethylsulfanyl)pyridine

C6H2F4INS — CID 131050799

IUPAC3-fluoro-4-iodo-5-(trifluoromethylsulfanyl)pyridine
SMILESFc1cncc(SC(F)(F)F)c1I
InChIInChI=1S/C6H2F4INS/c7-3-1-12-2-4(5(3)11)13-6(8,9)10/h1-2H
InChIKeyWVNFDPBSLZKZSP-UHFFFAOYSA-N
MW323.05 g/mol
LogP3.44
Rot. Bonds1

About 3-fluoro-4-iodo-5-(trifluoromethylsulfanyl)pyridine

3-fluoro-4-iodo-5-(trifluoromethylsulfanyl)pyridine (PubChem CID 131050799) has the molecular formula C6H2F4INS and a molecular weight of 323.05 g/mol. Its IUPAC name is 3-fluoro-4-iodo-5-(trifluoromethylsulfanyl)pyridine.

Molecular Properties

Compound Name3-fluoro-4-iodo-5-(trifluoromethylsulfanyl)pyridine
PubChem CID131050799
Molecular FormulaC6H2F4INS
Molecular Weight323.05 g/mol
Exact Mass322.89
IUPAC Name3-fluoro-4-iodo-5-(trifluoromethylsulfanyl)pyridine
SMILESFc1cncc(SC(F)(F)F)c1I
InChIInChI=1S/C6H2F4INS/c7-3-1-12-2-4(5(3)11)13-6(8,9)10/h1-2H
InChIKeyWVNFDPBSLZKZSP-UHFFFAOYSA-N
XLogP3.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.05
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-fluoro-4-iodo-5-(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 3-fluoro-4-iodo-5-(trifluoromethylsulfanyl)pyridine?
The IUPAC name of 3-fluoro-4-iodo-5-(trifluoromethylsulfanyl)pyridine (CID 131050799) is 3-fluoro-4-iodo-5-(trifluoromethylsulfanyl)pyridine.
What is the SMILES notation for 3-fluoro-4-iodo-5-(trifluoromethylsulfanyl)pyridine?
The canonical SMILES for 3-fluoro-4-iodo-5-(trifluoromethylsulfanyl)pyridine is Fc1cncc(SC(F)(F)F)c1I.
What is the InChIKey of 3-fluoro-4-iodo-5-(trifluoromethylsulfanyl)pyridine?
The InChIKey is WVNFDPBSLZKZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F4INS/c7-3-1-12-2-4(5(3)11)13-6(8,9)10/h1-2H.
What are the key properties of 3-fluoro-4-iodo-5-(trifluoromethylsulfanyl)pyridine?
3-fluoro-4-iodo-5-(trifluoromethylsulfanyl)pyridine has a molecular weight of 323.05 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-iodo-5-(trifluoromethylsulfanyl)pyridine is sourced from PubChem (CID 131050799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).