2-iodopyridin-3-ol

• ChemBase ID: 32432
• Molecular Formular: C5H4INO
• Molecular Mass: 220.99583
• Monoisotopic Mass: 220.93376175
• SMILES: c1cnc(c(c1)O)I
• Canonical SMILES: Oc1cccnc1I
• InChI: InChI=1S/C5H4INO/c6-5-4(8)2-1-3-7-5/h1-3,8H
• InChIKey: HJBGMPCMSWJZNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodopyridin-3-ol
• IUPAC Traditional name: 2-iodopyridin-3-ol
• Synonyms: 2-Iodo-3-pyridinol; 2-Iodo-3-hydroxypyridine; 2-Iodopyridin-3-ol; 2-Iodo-3-hydroxypyridine; 3-Hydroxy-2-iodopyridine; 2-Iodopyridin-3-ol; 3-Hydroxy-2-iodopyridine; 2-碘-3-吡啶醇; 2-碘-3-羟基吡啶

Database IDs

• CAS Number: 40263-57-8
• EC Number: 254-864-0
• MDL Number: MFCD00023421
• Beilstein Number: 109836
• PubChem SID: 160995739
• PubChem CID: 97179

CALCULATED PROPERTIES

• Acid pKa: 7.5428686
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.40962
• LogD (pH = 7.4): 1.1846373
• Log P: 1.4135401
• Molar Refractivity: 38.9526 cm^3
• Polarizability: 15.462336 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 191-195°C; 191-195°C; 196-200 °C (D)

Safety Information

• Storage Warning: IRRITANT; 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: 26-37; 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; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C5H4INO

DETAILS

Sigma Aldrich - 675873

Packaging
1 g in glass bottle