6-fluoropyridine-3-sulfonyl fluoride

C5H3F2NO2S — CID 119027961

IUPAC6-fluoropyridine-3-sulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(F)nc1
InChIInChI=1S/C5H3F2NO2S/c6-5-2-1-4(3-8-5)11(7,9)10/h1-3H
InChIKeyMJQBBJRSNPUGMQ-UHFFFAOYSA-N
MW179.15 g/mol
LogP0.88
Rot. Bonds1

About 6-fluoropyridine-3-sulfonyl fluoride

6-fluoropyridine-3-sulfonyl fluoride (PubChem CID 119027961) has the molecular formula C5H3F2NO2S and a molecular weight of 179.15 g/mol. Its IUPAC name is 6-fluoropyridine-3-sulfonyl fluoride.

Molecular Properties

Compound Name6-fluoropyridine-3-sulfonyl fluoride
PubChem CID119027961
Molecular FormulaC5H3F2NO2S
Molecular Weight179.15 g/mol
Exact Mass178.99
IUPAC Name6-fluoropyridine-3-sulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(F)nc1
InChIInChI=1S/C5H3F2NO2S/c6-5-2-1-4(3-8-5)11(7,9)10/h1-3H
InChIKeyMJQBBJRSNPUGMQ-UHFFFAOYSA-N
XLogP0.88
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 50.88
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-3-sulfonyl fluoride?
The IUPAC name of 6-fluoropyridine-3-sulfonyl fluoride (CID 119027961) is 6-fluoropyridine-3-sulfonyl fluoride.
What is the SMILES notation for 6-fluoropyridine-3-sulfonyl fluoride?
The canonical SMILES for 6-fluoropyridine-3-sulfonyl fluoride is O=S(=O)(F)c1ccc(F)nc1.
What is the InChIKey of 6-fluoropyridine-3-sulfonyl fluoride?
The InChIKey is MJQBBJRSNPUGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F2NO2S/c6-5-2-1-4(3-8-5)11(7,9)10/h1-3H.
What are the key properties of 6-fluoropyridine-3-sulfonyl fluoride?
6-fluoropyridine-3-sulfonyl fluoride has a molecular weight of 179.15 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoropyridine-3-sulfonyl fluoride is sourced from PubChem (CID 119027961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).