5-iodopyridin-2-ol

• ChemBase ID: 16248
• Molecular Formular: C5H4INO
• Molecular Mass: 220.99583
• Monoisotopic Mass: 220.93376175
• SMILES: c1(cnc(cc1)O)I
• Canonical SMILES: Oc1ccc(cn1)I
• InChI: InChI=1S/C5H4INO/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8)
• InChIKey: ZDJUNNCVIDKJAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-iodopyridin-2-ol
• IUPAC Traditional name: 5-iodopyridin-2-ol
• Synonyms: 2-Hydroxy-5-iodopyridine; 5-Iodo-2-pyridinol; 5-Iodo-2(1H)-pyridone; 2-HYDROXY-5-IODOPYRIDINE; 5-Iodo-pyridin-2-ol; 5-碘-2(1H)-吡啶酮; 5-碘-2-吡啶醇; 2-羟基-5-碘吡啶

Database IDs

• CAS Number: 13472-79-2
• EC Number: 000-000-0
• MDL Number: MFCD00234058
• Beilstein Number: 108752
• PubChem SID: 24883830; 160979555
• PubChem CID: 459500

CALCULATED PROPERTIES

• Acid pKa: 10.790789
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9754014
• LogD (pH = 7.4): 1.9752355
• Log P: 1.9754101
• Molar Refractivity: 39.558 cm^3
• Polarizability: 15.381143 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 189-191°C; 192.6-192.7°C; 192-196 °C(lit.)

Safety Information

• Storage Warning: IRRITANT; Light Sensitive
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41; 36/37/38
• Safety Statements: 26-36/39; 26-37
• 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; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%; 98%

DETAILS

Sigma Aldrich - 651435

包装
1, 5 g in glass bottle
Warning
对光敏感