2,4-dimethylpyridin-3-ol

• ChemBase ID: 92418
• Molecular Formular: C7H9NO
• Molecular Mass: 123.15246
• Monoisotopic Mass: 123.06841391
• SMILES: n1c(c(c(cc1)C)O)C
• Canonical SMILES: Oc1c(C)ccnc1C
• InChI: InChI=1S/C7H9NO/c1-5-3-4-8-6(2)7(5)9/h3-4,9H,1-2H3
• InChIKey: YOLWXYGTOQALFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethylpyridin-3-ol
• IUPAC Traditional name: 2,4-dimethylpyridin-3-ol
• Synonyms: 2,4-Dimethylpyridin-3-ol; 3-Hydroxy-2,4-lutidine; 2,4-Dimethyl-3-hydroxypyridine 97%

Database IDs

• CAS Number: 27296-76-0
• MDL Number: MFCD08235268
• PubChem SID: 162079116
• PubChem CID: 15047366

CALCULATED PROPERTIES

• Acid pKa: 10.030362
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.10688671
• LogD (pH = 7.4): 0.9438139
• Log P: 1.0967996
• Molar Refractivity: 35.5147 cm^3
• Polarizability: 13.561889 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 37-40°C

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon