6-oxo-1H-pyridine-3-sulfonyl iodide

C5H4INO3S — CID 175697011

IUPAC6-oxo-1H-pyridine-3-sulfonyl iodide
SMILESO=c1ccc(S(=O)(=O)I)c[nH]1
InChIInChI=1S/C5H4INO3S/c6-11(9,10)4-1-2-5(8)7-3-4/h1-3H,(H,7,8)
InChIKeyIGPUGWGVIAJPGX-UHFFFAOYSA-N
MW285.06 g/mol
LogP0.50
Rot. Bonds1

About 6-oxo-1H-pyridine-3-sulfonyl iodide

6-oxo-1H-pyridine-3-sulfonyl iodide (PubChem CID 175697011) has the molecular formula C5H4INO3S and a molecular weight of 285.06 g/mol. Its IUPAC name is 6-oxo-1H-pyridine-3-sulfonyl iodide.

Molecular Properties

Compound Name6-oxo-1H-pyridine-3-sulfonyl iodide
PubChem CID175697011
Molecular FormulaC5H4INO3S
Molecular Weight285.06 g/mol
Exact Mass284.90
IUPAC Name6-oxo-1H-pyridine-3-sulfonyl iodide
SMILESO=c1ccc(S(=O)(=O)I)c[nH]1
InChIInChI=1S/C5H4INO3S/c6-11(9,10)4-1-2-5(8)7-3-4/h1-3H,(H,7,8)
InChIKeyIGPUGWGVIAJPGX-UHFFFAOYSA-N
XLogP0.50
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.06
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1H-pyridine-3-sulfonyl iodide?
The IUPAC name of 6-oxo-1H-pyridine-3-sulfonyl iodide (CID 175697011) is 6-oxo-1H-pyridine-3-sulfonyl iodide.
What is the SMILES notation for 6-oxo-1H-pyridine-3-sulfonyl iodide?
The canonical SMILES for 6-oxo-1H-pyridine-3-sulfonyl iodide is O=c1ccc(S(=O)(=O)I)c[nH]1.
What is the InChIKey of 6-oxo-1H-pyridine-3-sulfonyl iodide?
The InChIKey is IGPUGWGVIAJPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4INO3S/c6-11(9,10)4-1-2-5(8)7-3-4/h1-3H,(H,7,8).
What are the key properties of 6-oxo-1H-pyridine-3-sulfonyl iodide?
6-oxo-1H-pyridine-3-sulfonyl iodide has a molecular weight of 285.06 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1H-pyridine-3-sulfonyl iodide is sourced from PubChem (CID 175697011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).