6-chloro-2,3-dimethoxypyridine

• ChemBase ID: 32495
• Molecular Formular: C7H8ClNO2
• Molecular Mass: 173.59692
• Monoisotopic Mass: 173.02435618
• SMILES: c1(c(nc(cc1)Cl)OC)OC
• Canonical SMILES: COc1nc(Cl)ccc1OC
• InChI: InChI=1S/C7H8ClNO2/c1-10-5-3-4-6(8)9-7(5)11-2/h3-4H,1-2H3
• InChIKey: RIBNMZVQKQHUSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2,3-dimethoxypyridine
• IUPAC Traditional name: 6-chloro-2,3-dimethoxypyridine
• Synonyms: 6-Chloro-2,3-dimethoxypyridine; 6-Chloro-2,3-dimethoxypyridine

Database IDs

• CAS Number: 1087659-30-0
• MDL Number: MFCD11857641
• PubChem SID: 160995802
• PubChem CID: 45361765

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8589102
• LogD (pH = 7.4): 1.8589102
• Log P: 1.8589102
• Molar Refractivity: 43.0071 cm^3
• Polarizability: 16.4595 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 - ADE000503

Other Notes
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