2-methoxypyridine-3-sulfonyl chloride

• ChemBase ID: 814811
• Molecular Formular: C6H6ClNO3S
• Molecular Mass: 207.63474
• Monoisotopic Mass: 206.97569174
• SMILES: n1c(c(ccc1)S(=O)(=O)Cl)OC
• Canonical SMILES: COc1ncccc1S(=O)(=O)Cl
• InChI: InChI=1S/C6H6ClNO3S/c1-11-6-5(12(7,9)10)3-2-4-8-6/h2-4H,1H3
• InChIKey: LYKXXCYWOSGOIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxypyridine-3-sulfonyl chloride
• IUPAC Traditional name: 2-methoxypyridine-3-sulfonyl chloride
• Synonyms: 2-methoxypyridine-3-sulfonyl chloride

Database IDs

• CAS Number: 219715-44-3

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1386626
• LogD (pH = 7.4): 1.1386627
• Log P: 1.1386627
• Molar Refractivity: 44.872 cm^3
• Polarizability: 18.143337 Å^3
• Polar Surface Area: 56.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%