5-chloro-2,3-dimethoxypyridine

• ChemBase ID: 54523
• Molecular Formular: C7H8ClNO2
• Molecular Mass: 173.59692
• Monoisotopic Mass: 173.02435618
• SMILES: c1(cnc(c(c1)OC)OC)Cl
• Canonical SMILES: COc1cc(Cl)cnc1OC
• InChI: InChI=1S/C7H8ClNO2/c1-10-6-3-5(8)4-9-7(6)11-2/h3-4H,1-2H3
• InChIKey: ZIWLHIOCWSARHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2,3-dimethoxypyridine
• IUPAC Traditional name: 5-chloro-2,3-dimethoxypyridine
• Synonyms: 5-Chloro-2,3-dimethoxypyridine; 5-Chloro-2,3-dimethoxypyridine

Database IDs

• CAS Number: 284040-73-9
• MDL Number: MFCD09972187
• PubChem SID: 162059286
• PubChem CID: 22478560

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6387243
• LogD (pH = 7.4): 1.6387329
• Log P: 1.638733
• Molar Refractivity: 41.9458 cm^3
• Polarizability: 16.414743 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C7H8ClNO2

DETAILS

Sigma Aldrich - ADE000172

Other Notes
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