4,6-dichloropyridine-3-sulfonyl fluoride

C5H2Cl2FNO2S — CID 146013203

IUPAC4,6-dichloropyridine-3-sulfonyl fluoride
SMILESO=S(=O)(F)c1cnc(Cl)cc1Cl
InChIInChI=1S/C5H2Cl2FNO2S/c6-3-1-5(7)9-2-4(3)12(8,10)11/h1-2H
InChIKeyZRGMTYXSSQWYEQ-UHFFFAOYSA-N
MW230.05 g/mol
LogP2.05
Rot. Bonds1

About 4,6-dichloropyridine-3-sulfonyl fluoride

4,6-dichloropyridine-3-sulfonyl fluoride (PubChem CID 146013203) has the molecular formula C5H2Cl2FNO2S and a molecular weight of 230.05 g/mol. Its IUPAC name is 4,6-dichloropyridine-3-sulfonyl fluoride.

Molecular Properties

Compound Name4,6-dichloropyridine-3-sulfonyl fluoride
PubChem CID146013203
Molecular FormulaC5H2Cl2FNO2S
Molecular Weight230.05 g/mol
Exact Mass228.92
IUPAC Name4,6-dichloropyridine-3-sulfonyl fluoride
SMILESO=S(=O)(F)c1cnc(Cl)cc1Cl
InChIInChI=1S/C5H2Cl2FNO2S/c6-3-1-5(7)9-2-4(3)12(8,10)11/h1-2H
InChIKeyZRGMTYXSSQWYEQ-UHFFFAOYSA-N
XLogP2.05
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.05
LogP ≤ 52.05
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 4,6-dichloropyridine-3-sulfonyl fluoride?
The IUPAC name of 4,6-dichloropyridine-3-sulfonyl fluoride (CID 146013203) is 4,6-dichloropyridine-3-sulfonyl fluoride.
What is the SMILES notation for 4,6-dichloropyridine-3-sulfonyl fluoride?
The canonical SMILES for 4,6-dichloropyridine-3-sulfonyl fluoride is O=S(=O)(F)c1cnc(Cl)cc1Cl.
What is the InChIKey of 4,6-dichloropyridine-3-sulfonyl fluoride?
The InChIKey is ZRGMTYXSSQWYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl2FNO2S/c6-3-1-5(7)9-2-4(3)12(8,10)11/h1-2H.
What are the key properties of 4,6-dichloropyridine-3-sulfonyl fluoride?
4,6-dichloropyridine-3-sulfonyl fluoride has a molecular weight of 230.05 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloropyridine-3-sulfonyl fluoride is sourced from PubChem (CID 146013203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).