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

C6H3ClF2INO3S — CID 118804024

IUPAC6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-sulfonyl chloride
SMILESO=c1c(S(=O)(=O)Cl)c[nH]c(C(F)F)c1I
InChIInChI=1S/C6H3ClF2INO3S/c7-15(13,14)2-1-11-4(6(8)9)3(10)5(2)12/h1,6H,(H,11,12)
InChIKeyZYUUCSXQEHYGMA-UHFFFAOYSA-N
MW369.51 g/mol
LogP1.84
Rot. Bonds2

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 Name6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-sulfonyl chloride
PubChem CID118804024
Molecular FormulaC6H3ClF2INO3S
Molecular Weight369.51 g/mol
Exact Mass368.85
IUPAC Name6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-sulfonyl chloride
SMILESO=c1c(S(=O)(=O)Cl)c[nH]c(C(F)F)c1I
InChIInChI=1S/C6H3ClF2INO3S/c7-15(13,14)2-1-11-4(6(8)9)3(10)5(2)12/h1,6H,(H,11,12)
InChIKeyZYUUCSXQEHYGMA-UHFFFAOYSA-N
XLogP1.84
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 51.84
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-(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).