3,5-diiodopyridin-2-amine

• ChemBase ID: 65645
• Molecular Formular: C5H4I2N2
• Molecular Mass: 345.9076
• Monoisotopic Mass: 345.84639414
• SMILES: c1(cnc(c(c1)I)N)I
• Canonical SMILES: Ic1cnc(c(c1)I)N
• InChI: InChI=1S/C5H4I2N2/c6-3-1-4(7)5(8)9-2-3/h1-2H,(H2,8,9)
• InChIKey: QLJWHQFRDOOATP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-diiodopyridin-2-amine
• IUPAC Traditional name: 3,5-diiodopyridin-2-amine
• Synonyms: 3,5-Diiodo-pyridin-2-ylamine; 3,5-Diiodo-2-pyridinamine; 2-Amino-3,5-diiodopyridine; 2-氨基-3,5-二碘吡啶

Database IDs

• CAS Number: 23597-15-1
• MDL Number: MFCD02663852
• PubChem SID: 162031384
• PubChem CID: 350960

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3745508
• LogD (pH = 7.4): 2.3789377
• Log P: 2.378994
• Molar Refractivity: 55.64 cm^3
• Polarizability: 21.402746 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Light Sensitive
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: false; 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%; 97%