2-[(3-iodopyridin-2-yl)amino]ethan-1-ol

• ChemBase ID: 297419
• Molecular Formular: C7H9IN2O
• Molecular Mass: 264.06363
• Monoisotopic Mass: 263.97596092
• SMILES: c1cc(c(nc1)NCCO)I
• Canonical SMILES: OCCNc1ncccc1I
• InChI: InChI=1S/C7H9IN2O/c8-6-2-1-3-9-7(6)10-4-5-11/h1-3,11H,4-5H2,(H,9,10)
• InChIKey: KDIYWIWNYIQQQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3-iodopyridin-2-yl)amino]ethan-1-ol
• IUPAC Traditional name: 2-[(3-iodopyridin-2-yl)amino]ethanol
• Synonyms: 2-(3-Iodo-2-pyridylamino)ethanol; 2-(2-Hydroxyethylamino)-3-iodopyridine; 2-(2-羟基乙基氨)-3-碘吡啶

Database IDs

• MDL Number: MFCD07781167
• PubChem SID: 180682950
• PubChem CID: 37030104

CALCULATED PROPERTIES

• LogD (pH = 7.4): 1.0597711
• Log P: 1.0616515
• Molar Refractivity: 54.0632 cm^3
• Polarizability: 20.152292 Å^3
• Polar Surface Area: 45.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 15.585161
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.93428755

PROPERTIES

Safety Information

• Storage Warning: Light Sensitive
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 95%