3-iodopyridine-2,5-diamine

• ChemBase ID: 296650
• Molecular Formular: C5H6IN3
• Molecular Mass: 235.02571
• Monoisotopic Mass: 234.96064521
• SMILES: c1c(cnc(c1I)N)N
• Canonical SMILES: Nc1cnc(c(c1)I)N
• InChI: InChI=1S/C5H6IN3/c6-4-1-3(7)2-9-5(4)8/h1-2H,7H2,(H2,8,9)
• InChIKey: SECWUDQFVZPDOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-iodopyridine-2,5-diamine
• IUPAC Traditional name: 3-iodopyridine-2,5-diamine
• Synonyms: 2,5-Diamino-3-iodopyridine; 2,5-二氨基-3-碘吡啶

Database IDs

• MDL Number: MFCD11844805
• PubChem SID: 180682181
• PubChem CID: 45588197

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.24855328
• LogD (pH = 7.4): 0.61341846
• Log P: 0.6211235
• Molar Refractivity: 46.9779 cm^3
• Polarizability: 17.025255 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Light Sensitive
• European Hazard Symbols: X
• Risk Statements: 20/22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H332-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 95%