5-fluoro-4-iodo-1H-pyridine-2-thione

C5H3FINS — CID 130867116

IUPAC5-fluoro-4-iodo-1H-pyridine-2-thione
SMILESFc1c[nH]c(=S)cc1I
InChIInChI=1S/C5H3FINS/c6-3-2-8-5(9)1-4(3)7/h1-2H,(H,8,9)
InChIKeyWUNWZQQXTWBLRY-UHFFFAOYSA-N
MW255.06 g/mol
LogP2.49
Rot. Bonds

About 5-fluoro-4-iodo-1H-pyridine-2-thione

5-fluoro-4-iodo-1H-pyridine-2-thione (PubChem CID 130867116) has the molecular formula C5H3FINS and a molecular weight of 255.06 g/mol. Its IUPAC name is 5-fluoro-4-iodo-1H-pyridine-2-thione.

Molecular Properties

Compound Name5-fluoro-4-iodo-1H-pyridine-2-thione
PubChem CID130867116
Molecular FormulaC5H3FINS
Molecular Weight255.06 g/mol
Exact Mass254.90
IUPAC Name5-fluoro-4-iodo-1H-pyridine-2-thione
SMILESFc1c[nH]c(=S)cc1I
InChIInChI=1S/C5H3FINS/c6-3-2-8-5(9)1-4(3)7/h1-2H,(H,8,9)
InChIKeyWUNWZQQXTWBLRY-UHFFFAOYSA-N
XLogP2.49
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.06
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-fluoro-4-iodo-1H-pyridine-2-thione 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 5-fluoro-4-iodo-1H-pyridine-2-thione?
The IUPAC name of 5-fluoro-4-iodo-1H-pyridine-2-thione (CID 130867116) is 5-fluoro-4-iodo-1H-pyridine-2-thione.
What is the SMILES notation for 5-fluoro-4-iodo-1H-pyridine-2-thione?
The canonical SMILES for 5-fluoro-4-iodo-1H-pyridine-2-thione is Fc1c[nH]c(=S)cc1I.
What is the InChIKey of 5-fluoro-4-iodo-1H-pyridine-2-thione?
The InChIKey is WUNWZQQXTWBLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3FINS/c6-3-2-8-5(9)1-4(3)7/h1-2H,(H,8,9).
What are the key properties of 5-fluoro-4-iodo-1H-pyridine-2-thione?
5-fluoro-4-iodo-1H-pyridine-2-thione has a molecular weight of 255.06 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-iodo-1H-pyridine-2-thione is sourced from PubChem (CID 130867116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).