2-bromopyridine-3-sulfonyl fluoride

C5H3BrFNO2S — CID 139593206

IUPAC2-bromopyridine-3-sulfonyl fluoride
SMILESO=S(=O)(F)c1cccnc1Br
InChIInChI=1S/C5H3BrFNO2S/c6-5-4(11(7,9)10)2-1-3-8-5/h1-3H
InChIKeyIYMFZEIGMDPLMI-UHFFFAOYSA-N
MW240.05 g/mol
LogP1.50
Rot. Bonds1

About 2-bromopyridine-3-sulfonyl fluoride

2-bromopyridine-3-sulfonyl fluoride (PubChem CID 139593206) has the molecular formula C5H3BrFNO2S and a molecular weight of 240.05 g/mol. Its IUPAC name is 2-bromopyridine-3-sulfonyl fluoride.

Molecular Properties

Compound Name2-bromopyridine-3-sulfonyl fluoride
PubChem CID139593206
Molecular FormulaC5H3BrFNO2S
Molecular Weight240.05 g/mol
Exact Mass238.91
IUPAC Name2-bromopyridine-3-sulfonyl fluoride
SMILESO=S(=O)(F)c1cccnc1Br
InChIInChI=1S/C5H3BrFNO2S/c6-5-4(11(7,9)10)2-1-3-8-5/h1-3H
InChIKeyIYMFZEIGMDPLMI-UHFFFAOYSA-N
XLogP1.50
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.05
LogP ≤ 51.50
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-bromopyridine-3-sulfonyl fluoride?
The IUPAC name of 2-bromopyridine-3-sulfonyl fluoride (CID 139593206) is 2-bromopyridine-3-sulfonyl fluoride.
What is the SMILES notation for 2-bromopyridine-3-sulfonyl fluoride?
The canonical SMILES for 2-bromopyridine-3-sulfonyl fluoride is O=S(=O)(F)c1cccnc1Br.
What is the InChIKey of 2-bromopyridine-3-sulfonyl fluoride?
The InChIKey is IYMFZEIGMDPLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrFNO2S/c6-5-4(11(7,9)10)2-1-3-8-5/h1-3H.
What are the key properties of 2-bromopyridine-3-sulfonyl fluoride?
2-bromopyridine-3-sulfonyl fluoride has a molecular weight of 240.05 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromopyridine-3-sulfonyl fluoride is sourced from PubChem (CID 139593206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).