pyridine-2,6-diol hydrochloride

• ChemBase ID: 109646
• Molecular Formular: C5H6ClNO2
• Molecular Mass: 147.55964
• Monoisotopic Mass: 147.00870612
• SMILES: Cl.Oc1cccc(O)n1
• Canonical SMILES: Oc1cccc(n1)O.Cl
• InChI: InChI=1S/C5H5NO2.ClH/c7-4-2-1-3-5(8)6-4;/h1-3H,(H2,6,7,8);1H
• InChIKey: HNWWAWKDVFVJRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridine-2,6-diol hydrochloride
• IUPAC Traditional name: 2,6-dihydroxypyridine hydrochloride
• Synonyms: 2,6-DIHYDROXYPYRIDINE HYDROCHLORIDE; 2,6-Pyridinediol hydrochloride; 2,6-Dihydroxypyridine hydrochloride; 吡啶-2,6-二醇 盐酸盐; 2,6-二羟基吡啶 盐酸盐

Database IDs

• CAS Number: 10357-84-3
• EC Number: 233-777-1
• MDL Number: MFCD00012817
• PubChem SID: 162089231; 24893374
• PubChem CID: 3084068

CALCULATED PROPERTIES

• Acid pKa: 11.087138
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3373559
• LogD (pH = 7.4): 1.3372695
• Log P: 1.3373578
• Molar Refractivity: 28.4899 cm^3
• Polarizability: 10.680485 Å^3
• Polar Surface Area: 53.35 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 206-208 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C5H5NO2 · HCl

DETAILS

MP Biomedicals - 05212023

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D120006

Packaging
5, 25 g in glass bottle