6-chloropyridine-3-sulfonyl fluoride

C5H3ClFNO2S — CID 105449565

IUPAC6-chloropyridine-3-sulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(Cl)nc1
InChIInChI=1S/C5H3ClFNO2S/c6-5-2-1-4(3-8-5)11(7,9)10/h1-3H
InChIKeyBYGVJIRECZWZDY-UHFFFAOYSA-N
MW195.60 g/mol
LogP1.39
Rot. Bonds1

About 6-chloropyridine-3-sulfonyl fluoride

6-chloropyridine-3-sulfonyl fluoride (PubChem CID 105449565) has the molecular formula C5H3ClFNO2S and a molecular weight of 195.60 g/mol. Its IUPAC name is 6-chloropyridine-3-sulfonyl fluoride.

Molecular Properties

Compound Name6-chloropyridine-3-sulfonyl fluoride
PubChem CID105449565
Molecular FormulaC5H3ClFNO2S
Molecular Weight195.60 g/mol
Exact Mass194.96
IUPAC Name6-chloropyridine-3-sulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(Cl)nc1
InChIInChI=1S/C5H3ClFNO2S/c6-5-2-1-4(3-8-5)11(7,9)10/h1-3H
InChIKeyBYGVJIRECZWZDY-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
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-chloropyridine-3-sulfonyl fluoride?
The IUPAC name of 6-chloropyridine-3-sulfonyl fluoride (CID 105449565) is 6-chloropyridine-3-sulfonyl fluoride.
What is the SMILES notation for 6-chloropyridine-3-sulfonyl fluoride?
The canonical SMILES for 6-chloropyridine-3-sulfonyl fluoride is O=S(=O)(F)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloropyridine-3-sulfonyl fluoride?
The InChIKey is BYGVJIRECZWZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClFNO2S/c6-5-2-1-4(3-8-5)11(7,9)10/h1-3H.
What are the key properties of 6-chloropyridine-3-sulfonyl fluoride?
6-chloropyridine-3-sulfonyl fluoride has a molecular weight of 195.60 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloropyridine-3-sulfonyl fluoride is sourced from PubChem (CID 105449565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).