2-ethyl-6-methylpyridin-3-ol

• ChemBase ID: 67919
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: c1(c(ccc(n1)C)O)CC
• Canonical SMILES: CCc1nc(C)ccc1O
• InChI: InChI=1S/C8H11NO/c1-3-7-8(10)5-4-6(2)9-7/h4-5,10H,3H2,1-2H3
• InChIKey: JPGDYIGSCHWQCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-6-methylpyridin-3-ol
• IUPAC Traditional name: 2-ethyl-6-methylpyridin-3-ol
• Synonyms: 2-Ethyl-3-hydroxy-6-methylpyridine; Emoxipine; Emoxypie; Epigid; 6-Methyl-2-ethyl-3-hydroxypyridine; 2-ethyl-6-methyl-3-pyridinol; 2-Ethyl-6-Methyl-3-hydroxypyridine

Database IDs

• CAS Number: 2364-75-2
• MDL Number: MFCD00462409
• PubChem SID: 162033654
• PubChem CID: 114681
• Chemspider ID: 102688
• Wikipedia Title: 6-Methyl-2-ethyl-3-hydroxypyridine

CALCULATED PROPERTIES

• Acid pKa: 10.04776
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.4303791
• LogD (pH = 7.4): 1.3637275
• Log P: 1.4152843
• Molar Refractivity: 39.6919 cm^3
• Polarizability: 15.403638 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 136-138°C; 170-172 °C (338-341.6°F)

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Pharmacology Properties

• Admin Routes: Oral

Product Information

• Purity: 95+%; 97%