6-methoxypyridine-3-sulfonyl chloride

• ChemBase ID: 78041
• Molecular Formular: C6H6ClNO3S
• Molecular Mass: 207.63474
• Monoisotopic Mass: 206.97569174
• SMILES: n1c(ccc(c1)S(=O)(=O)Cl)OC
• Canonical SMILES: COc1ccc(cn1)S(=O)(=O)Cl
• InChI: InChI=1S/C6H6ClNO3S/c1-11-6-3-2-5(4-8-6)12(7,9)10/h2-4H,1H3
• InChIKey: OMLIVJOTRYWHNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxypyridine-3-sulfonyl chloride
• IUPAC Traditional name: 6-methoxypyridine-3-sulfonyl chloride
• Synonyms: 3-(Chlorosulphonyl)-6-methoxypyridine; 6-Methoxypyridine-3-sulphonyl chloride; 6-METHOXYPYRIDINE-3-SULFONYL CHLORIDE

Database IDs

• CAS Number: 312300-42-8
• MDL Number: MFCD06739108
• PubChem SID: 162042875
• PubChem CID: 22344709

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1386627
• LogD (pH = 7.4): 1.1386627
• Log P: 1.1386627
• Molar Refractivity: 44.872 cm^3
• Polarizability: 18.13998 Å^3
• Polar Surface Area: 56.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 42-45°C

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive/Store under Argon/Keep Cold

Product Information

• Purity: 98%