2,4,5-trimethylpyridin-3-ol

• ChemBase ID: 298130
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: Cc1cnc(c(c1C)O)C
• Canonical SMILES: Cc1cnc(c(c1C)O)C
• InChI: InChI=1S/C8H11NO/c1-5-4-9-7(3)8(10)6(5)2/h4,10H,1-3H3
• InChIKey: OIXVDFZUALXJNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,5-trimethylpyridin-3-ol
• IUPAC Traditional name: 2,4,5-trimethylpyridin-3-ol
• Synonyms: 2,4,5-Trimethyl-3-pyridinol; 2,4,5-三甲基-3-吡啶醇

Database IDs

• MDL Number: MFCD17015035
• PubChem SID: 180683661
• PubChem CID: 59900635

CALCULATED PROPERTIES

• Acid pKa: 10.138002
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.27744213
• LogD (pH = 7.4): 1.3045563
• Log P: 1.610221
• Molar Refractivity: 40.5559 cm^3
• Polarizability: 15.326399 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%