2-bromopyridine-3-sulfonyl chloride

• ChemBase ID: 180337
• Molecular Formular: C5H3BrClNO2S
• Molecular Mass: 256.50482
• Monoisotopic Mass: 254.87563902
• SMILES: c1(c(cccn1)S(=O)(=O)Cl)Br
• Canonical SMILES: Brc1ncccc1S(=O)(=O)Cl
• InChI: InChI=1S/C5H3BrClNO2S/c6-5-4(11(7,9)10)2-1-3-8-5/h1-3H
• InChIKey: XJPBDTIFSUZVAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromopyridine-3-sulfonyl chloride
• IUPAC Traditional name: 2-bromopyridine-3-sulfonyl chloride
• Synonyms: 2-Bromopyridine-3-sulfonyl chloride

Database IDs

• CAS Number: 1060811-59-7
• PubChem SID: 164236247
• PubChem CID: 56956192

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.676151
• LogD (pH = 7.4): 1.676151
• Log P: 1.676151
• Molar Refractivity: 46.5603 cm^3
• Polarizability: 18.69606 Å^3
• Polar Surface Area: 47.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%