6-methylpyridin-3-ol

• ChemBase ID: 67772
• Molecular Formular: C6H7NO
• Molecular Mass: 109.12588
• Monoisotopic Mass: 109.05276385
• SMILES: c1(ccc(cn1)O)C
• Canonical SMILES: Cc1ccc(cn1)O
• InChI: InChI=1S/C6H7NO/c1-5-2-3-6(8)4-7-5/h2-4,8H,1H3
• InChIKey: DHLUJPLHLZJUBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylpyridin-3-ol
• IUPAC Traditional name: 3-pyridinol, 6-methyl-
• Synonyms: 5-Hydroxy-2-methylpyridine; 6-Methyl-3-pyridinol; 5-Hydroxy-2-methylpyridine; 2-METHYL-5-HYDROXYPYRIDINE; 5-Hydroxy-2-picoline; 6-Methylpyridin-3-ol; 6-Methylpyridin-3-ol; 6-甲基-3-吡啶醇; 5-羟基-2-甲基吡啶

Database IDs

• CAS Number: 1121-78-4
• EC Number: 214-337-8
• MDL Number: MFCD00006339
• Beilstein Number: 107077
• PubChem SID: 24846760; 162033507
• PubChem CID: 14275

CALCULATED PROPERTIES

• Acid pKa: 9.625812
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.13835017
• LogD (pH = 7.4): 0.57012206
• Log P: 0.58337826
• Molar Refractivity: 30.4735 cm^3
• Polarizability: 11.797261 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 167-171°C; 168-170 °C(lit.)

Safety Information

• Storage Warning: Harmful; IRRITANT
• RTECS: UU7714900
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41; 36/37/38
• Safety Statements: 26-37; 26-39
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335; H315-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P280G-P305+P351+P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95+%; 98%; 99%
• Empirical Formula (Hill Notation): C6H7NO

DETAILS

MP Biomedicals - 05224972

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 107263

Application
Ligand of a platinum complex which showed protein kinase inhibitory action at nanomolar levels.1 Forms a chiral pyridinium ionic liquid on reaction with L-menthol chloromethyl ether.2
Packaging
25, 100 g in glass bottle

REFERENCES

• Starting material for two different diastereoselective synthetic routes to the antibiotic L-azatyrosine: J. Org. Chem., 59, 6850 (1994); 61, 813 (1996).