6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-sulfonyl chloride

C₆H₃ClF₂INO₃S — CID 118804024

About 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-sulfonyl chloride

6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-sulfonyl chloride (PubChem CID 118804024) has the molecular formula C₆H₃ClF₂INO₃S and a molecular weight of 369.51 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-sulfonyl chloride.

Molecular Properties

• Compound Name: 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-sulfonyl chloride
• PubChem CID: 118804024
• Molecular Formula: C₆H₃ClF₂INO₃S
• Molecular Weight: 369.51 g/mol
• Exact Mass: 368.85
• IUPAC Name: 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-sulfonyl chloride
• SMILES: O=c1c(S(=O)(=O)Cl)c[nH]c(C(F)F)c1I
• InChI: InChI=1S/C6H3ClF2INO3S/c7-15(13,14)2-1-11-4(6(8)9)3(10)5(2)12/h1,6H,(H,11,12)
• InChIKey: ZYUUCSXQEHYGMA-UHFFFAOYSA-N
• XLogP: 1.84
• TPSA: 67.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.51
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-sulfonyl chloride?

The IUPAC name of 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-sulfonyl chloride (CID 118804024) is 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-sulfonyl chloride.

What is the SMILES notation for 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-sulfonyl chloride?

The canonical SMILES for 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-sulfonyl chloride is O=c1c(S(=O)(=O)Cl)c[nH]c(C(F)F)c1I.

What is the InChIKey of 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-sulfonyl chloride?

The InChIKey is ZYUUCSXQEHYGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF2INO3S/c7-15(13,14)2-1-11-4(6(8)9)3(10)5(2)12/h1,6H,(H,11,12).

What are the key properties of 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-sulfonyl chloride?

6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-sulfonyl chloride has a molecular weight of 369.51 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-sulfonyl chloride is sourced from PubChem (CID 118804024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118804024 — identifiers, structure, computed properties (public domain)

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