pyridin-2-ylmethanol

• ChemBase ID: 11755
• Molecular Formular: C6H7NO
• Molecular Mass: 109.12588
• Monoisotopic Mass: 109.05276385
• SMILES: c1cccc(n1)CO
• Canonical SMILES: OCc1ccccn1
• InChI: InChI=1S/C6H7NO/c8-5-6-3-1-2-4-7-6/h1-4,8H,5H2
• InChIKey: SHNUBALDGXWUJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridin-2-ylmethanol
• IUPAC Traditional name: 2-pyridinemethanol
• Synonyms: 2-Pyridine methanol; Pyridine-2-methanol; 2-pyridinylmethanol; (Pyridin-2-yl)methanol; 2-(Hydroxymethyl)pyridine; Pyridin-2-ylmethanol; Piconol; Pyridine-2-carbinol; α-Picolyl alcohol; 2-Pyridinemethanol; 2-Pyridinylcarbinol; 2-Pyridinylmethanol; 2-Pyridylcarbinol; 2-Pyridylmethanol; ω-Hydroxy-2-picoline; 2-(Hydroxymethyl)pyridine; 2-Pyridyl carbinol; 2-Pyridinemethanol; 吡啶-2-甲醇; ω-羟基-2-皮考啉; 2-(羟甲基)吡啶; 吡啶-2-甲醇; 2-吡啶甲醇

Database IDs

• CAS Number: 586-98-1
• EC Number: 209-592-7
• MDL Number: MFCD00006348
• Beilstein Number: 107849
• PubChem SID: 24879689; 24898786; 160975062
• PubChem CID: 11474

CALCULATED PROPERTIES

• Acid pKa: 14.215346
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.008110852
• LogD (pH = 7.4): 0.06885866
• Log P: 0.06969551
• Molar Refractivity: 30.1948 cm^3
• Polarizability: 11.8828535 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -6 to -5°C; -6 to -5°C; -6°C
• Boiling Point: 112-113 °C/16 mmHg(lit.); 112-113°C/16mm; 112-113°C/16mm
• Flash Point: 117 °C; 120°C; 120°C(248°F); 242.6 °F
• Density: 1.13 g/ml; 1.131; 1.131 g/mL at 25 °C(lit.)
• Refractive Index: 1.544; 1.5440; n20/D 1.543; n20/D 1.543(lit.)

Safety Information

• Storage Warning: Hygroscopic; IRRITANT, HYGROSCOPIC, KEEP COLD; Irritant/Keep Cold/Hygroscopic
• RTECS: UT4689000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; 36/38
• Safety Statements: 23-26-37; 26-36
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319; H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280-P305+P351+P338-P302+P352-P321-P362-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥90% (GC); 97%; 98%; 98+%
• Grade: technical
• Empirical Formula (Hill Notation): C6H7NO

DETAILS

MP Biomedicals - 02157472

(2-Pyridylcarbinol)
1 ml = approx. 1.13 g

Sigma Aldrich - P66602

Packaging
25, 100 g in glass bottle
Physical properties
May darken in storage

Toronto Research Chemicals - H947995

A pyridylalcohol with hypoglycemic activity and potential apoptotic effect in human leukemia cells.

REFERENCES

• Blank, B. et al.: J. Med. Chem., 22, 840 (1979)
• Ogata, S. et al.: Biosci. Biotech. Biochem., 65, 2337 (1979)