4-fluoro-6-iodopyridine-3-thiol

C5H3FINS — CID 131118261

IUPAC4-fluoro-6-iodopyridine-3-thiol
SMILESFc1cc(I)ncc1S
InChIInChI=1S/C5H3FINS/c6-3-1-5(7)8-2-4(3)9/h1-2,9H
InChIKeyUBPQAAAIYNKKKN-UHFFFAOYSA-N
MW255.06 g/mol
LogP2.11
Rot. Bonds

About 4-fluoro-6-iodopyridine-3-thiol

4-fluoro-6-iodopyridine-3-thiol (PubChem CID 131118261) has the molecular formula C5H3FINS and a molecular weight of 255.06 g/mol. Its IUPAC name is 4-fluoro-6-iodopyridine-3-thiol.

Molecular Properties

Compound Name4-fluoro-6-iodopyridine-3-thiol
PubChem CID131118261
Molecular FormulaC5H3FINS
Molecular Weight255.06 g/mol
Exact Mass254.90
IUPAC Name4-fluoro-6-iodopyridine-3-thiol
SMILESFc1cc(I)ncc1S
InChIInChI=1S/C5H3FINS/c6-3-1-5(7)8-2-4(3)9/h1-2,9H
InChIKeyUBPQAAAIYNKKKN-UHFFFAOYSA-N
XLogP2.11
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.06
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-iodopyridine-3-thiol?
The IUPAC name of 4-fluoro-6-iodopyridine-3-thiol (CID 131118261) is 4-fluoro-6-iodopyridine-3-thiol.
What is the SMILES notation for 4-fluoro-6-iodopyridine-3-thiol?
The canonical SMILES for 4-fluoro-6-iodopyridine-3-thiol is Fc1cc(I)ncc1S.
What is the InChIKey of 4-fluoro-6-iodopyridine-3-thiol?
The InChIKey is UBPQAAAIYNKKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3FINS/c6-3-1-5(7)8-2-4(3)9/h1-2,9H.
What are the key properties of 4-fluoro-6-iodopyridine-3-thiol?
4-fluoro-6-iodopyridine-3-thiol has a molecular weight of 255.06 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-iodopyridine-3-thiol is sourced from PubChem (CID 131118261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).