6-fluoropyridine-2-sulfonyl chloride

C5H3ClFNO2S — CID 15729536

IUPAC6-fluoropyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(F)n1
InChIInChI=1S/C5H3ClFNO2S/c6-11(9,10)5-3-1-2-4(7)8-5/h1-3H
InChIKeyZYYNYUDHGGZBOB-UHFFFAOYSA-N
MW195.60 g/mol
LogP1.15
Rot. Bonds1

About 6-fluoropyridine-2-sulfonyl chloride

6-fluoropyridine-2-sulfonyl chloride (PubChem CID 15729536) has the molecular formula C5H3ClFNO2S and a molecular weight of 195.60 g/mol. Its IUPAC name is 6-fluoropyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name6-fluoropyridine-2-sulfonyl chloride
PubChem CID15729536
Molecular FormulaC5H3ClFNO2S
Molecular Weight195.60 g/mol
Exact Mass194.96
IUPAC Name6-fluoropyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(F)n1
InChIInChI=1S/C5H3ClFNO2S/c6-11(9,10)5-3-1-2-4(7)8-5/h1-3H
InChIKeyZYYNYUDHGGZBOB-UHFFFAOYSA-N
XLogP1.15
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.60
LogP ≤ 51.15
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 6-fluoropyridine-2-sulfonyl chloride?
The IUPAC name of 6-fluoropyridine-2-sulfonyl chloride (CID 15729536) is 6-fluoropyridine-2-sulfonyl chloride.
What is the SMILES notation for 6-fluoropyridine-2-sulfonyl chloride?
The canonical SMILES for 6-fluoropyridine-2-sulfonyl chloride is O=S(=O)(Cl)c1cccc(F)n1.
What is the InChIKey of 6-fluoropyridine-2-sulfonyl chloride?
The InChIKey is ZYYNYUDHGGZBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClFNO2S/c6-11(9,10)5-3-1-2-4(7)8-5/h1-3H.
What are the key properties of 6-fluoropyridine-2-sulfonyl chloride?
6-fluoropyridine-2-sulfonyl chloride has a molecular weight of 195.60 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoropyridine-2-sulfonyl chloride is sourced from PubChem (CID 15729536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).