2,3-dimethoxy-6-(prop-2-en-1-yl)pyridine

• ChemBase ID: 32494
• Molecular Formular: C10H13NO2
• Molecular Mass: 179.21572
• Monoisotopic Mass: 179.09462866
• SMILES: c1(c(nc(cc1)CC=C)OC)OC
• Canonical SMILES: C=CCc1ccc(c(n1)OC)OC
• InChI: InChI=1S/C10H13NO2/c1-4-5-8-6-7-9(12-2)10(11-8)13-3/h4,6-7H,1,5H2,2-3H3
• InChIKey: DWNPBGILLMBQPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethoxy-6-(prop-2-en-1-yl)pyridine
• IUPAC Traditional name: 2,3-dimethoxy-6-(prop-2-en-1-yl)pyridine
• Synonyms: 6-Allyl-2,3-dimethoxypyridine; 6-Allyl-2,3-dimethoxypyridine

Database IDs

• CAS Number: 1087659-29-7
• MDL Number: MFCD11857640
• PubChem SID: 160995801
• PubChem CID: 45361764

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.006983
• LogD (pH = 7.4): 2.0071726
• Log P: 2.007175
• Molar Refractivity: 51.0045 cm^3
• Polarizability: 19.750378 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C10H13NO2

DETAILS

Sigma Aldrich - ADE000502

Other Notes
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