5-bromopyridine-2-sulfonyl fluoride

• ChemBase ID: 275481
• Molecular Formular: C5H3BrFNO2S
• Molecular Mass: 240.0502232
• Monoisotopic Mass: 238.90518956
• SMILES: S(=O)(=O)(c1ncc(cc1)Br)F
• Canonical SMILES: Brc1ccc(nc1)S(=O)(=O)F
• InChI: InChI=1S/C5H3BrFNO2S/c6-4-1-2-5(8-3-4)11(7,9)10/h1-3H
• InChIKey: BPJYQWDSPWLLNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromopyridine-2-sulfonyl fluoride
• IUPAC Traditional name: 5-bromopyridine-2-sulfonyl fluoride
• Synonyms: 5-bromopyridine-2-sulfonyl fluoride

Database IDs

• MDL Number: MFCD18917369
• PubChem SID: 164331391
• PubChem CID: 54593699

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7774973
• LogD (pH = 7.4): 1.7774973
• Log P: 1.7774973
• Molar Refractivity: 41.3966 cm^3
• Polarizability: 16.594347 Å^3
• Polar Surface Area: 47.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 92 - 94°C
• Hydrophobicity(logP): 2.013

Product Information

• Purity: 95%