5-bromopyridine-2-sulfonyl fluoride

C5H3BrFNO2S — CID 54593699

IUPAC5-bromopyridine-2-sulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(Br)cn1
InChIInChI=1S/C5H3BrFNO2S/c6-4-1-2-5(8-3-4)11(7,9)10/h1-3H
InChIKeyBPJYQWDSPWLLNO-UHFFFAOYSA-N
MW240.05 g/mol
LogP1.50
Rot. Bonds1

About 5-bromopyridine-2-sulfonyl fluoride

5-bromopyridine-2-sulfonyl fluoride (PubChem CID 54593699) has the molecular formula C5H3BrFNO2S and a molecular weight of 240.05 g/mol. Its IUPAC name is 5-bromopyridine-2-sulfonyl fluoride.

Molecular Properties

Compound Name5-bromopyridine-2-sulfonyl fluoride
PubChem CID54593699
Molecular FormulaC5H3BrFNO2S
Molecular Weight240.05 g/mol
Exact Mass238.91
IUPAC Name5-bromopyridine-2-sulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(Br)cn1
InChIInChI=1S/C5H3BrFNO2S/c6-4-1-2-5(8-3-4)11(7,9)10/h1-3H
InChIKeyBPJYQWDSPWLLNO-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

Analyze 5-bromopyridine-2-sulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromopyridine-2-sulfonyl fluoride?
The IUPAC name of 5-bromopyridine-2-sulfonyl fluoride (CID 54593699) is 5-bromopyridine-2-sulfonyl fluoride.
What is the SMILES notation for 5-bromopyridine-2-sulfonyl fluoride?
The canonical SMILES for 5-bromopyridine-2-sulfonyl fluoride is O=S(=O)(F)c1ccc(Br)cn1.
What is the InChIKey of 5-bromopyridine-2-sulfonyl fluoride?
The InChIKey is BPJYQWDSPWLLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrFNO2S/c6-4-1-2-5(8-3-4)11(7,9)10/h1-3H.
What are the key properties of 5-bromopyridine-2-sulfonyl fluoride?
5-bromopyridine-2-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 5-bromopyridine-2-sulfonyl fluoride is sourced from PubChem (CID 54593699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).