2,6-difluoropyridine-3-sulfonyl chloride

C5H2ClF2NO2S — CID 55279846

IUPAC2,6-difluoropyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(F)nc1F
InChIInChI=1S/C5H2ClF2NO2S/c6-12(10,11)3-1-2-4(7)9-5(3)8/h1-2H
InChIKeyFWYQHWMGXXSLOT-UHFFFAOYSA-N
MW213.59 g/mol
LogP1.29
Rot. Bonds1

About 2,6-difluoropyridine-3-sulfonyl chloride

2,6-difluoropyridine-3-sulfonyl chloride (PubChem CID 55279846) has the molecular formula C5H2ClF2NO2S and a molecular weight of 213.59 g/mol. Its IUPAC name is 2,6-difluoropyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2,6-difluoropyridine-3-sulfonyl chloride
PubChem CID55279846
Molecular FormulaC5H2ClF2NO2S
Molecular Weight213.59 g/mol
Exact Mass212.95
IUPAC Name2,6-difluoropyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(F)nc1F
InChIInChI=1S/C5H2ClF2NO2S/c6-12(10,11)3-1-2-4(7)9-5(3)8/h1-2H
InChIKeyFWYQHWMGXXSLOT-UHFFFAOYSA-N
XLogP1.29
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.59
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoropyridine-3-sulfonyl chloride?
The IUPAC name of 2,6-difluoropyridine-3-sulfonyl chloride (CID 55279846) is 2,6-difluoropyridine-3-sulfonyl chloride.
What is the SMILES notation for 2,6-difluoropyridine-3-sulfonyl chloride?
The canonical SMILES for 2,6-difluoropyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1ccc(F)nc1F.
What is the InChIKey of 2,6-difluoropyridine-3-sulfonyl chloride?
The InChIKey is FWYQHWMGXXSLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClF2NO2S/c6-12(10,11)3-1-2-4(7)9-5(3)8/h1-2H.
What are the key properties of 2,6-difluoropyridine-3-sulfonyl chloride?
2,6-difluoropyridine-3-sulfonyl chloride has a molecular weight of 213.59 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoropyridine-3-sulfonyl chloride is sourced from PubChem (CID 55279846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).