6-ethoxypyridine-3-sulfonyl chloride

• ChemBase ID: 275422
• Molecular Formular: C7H8ClNO3S
• Molecular Mass: 221.66132
• Monoisotopic Mass: 220.9913418
• SMILES: S(=O)(=O)(c1cnc(cc1)OCC)Cl
• Canonical SMILES: CCOc1ccc(cn1)S(=O)(=O)Cl
• InChI: InChI=1S/C7H8ClNO3S/c1-2-12-7-4-3-6(5-9-7)13(8,10)11/h3-5H,2H2,1H3
• InChIKey: GDNSPIDUHFASGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethoxypyridine-3-sulfonyl chloride
• IUPAC Traditional name: 6-ethoxypyridine-3-sulfonyl chloride
• Synonyms: 6-ethoxypyridine-3-sulfonyl chloride

Database IDs

• PubChem SID: 164331332
• PubChem CID: 71758754

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4954706
• LogD (pH = 7.4): 1.4954706
• Log P: 1.4954706
• Molar Refractivity: 49.6206 cm^3
• Polarizability: 19.953709 Å^3
• Polar Surface Area: 56.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 47 - 49°C
• Hydrophobicity(logP): 0.022

Product Information

• Purity: 95%