3-bromo-5-iodopyridin-4-amine

• ChemBase ID: 297396
• Molecular Formular: C5H4BrIN2
• Molecular Mass: 298.90713
• Monoisotopic Mass: 297.86025814
• SMILES: c1c(c(c(cn1)I)N)Br
• Canonical SMILES: Nc1c(Br)cncc1I
• InChI: InChI=1S/C5H4BrIN2/c6-3-1-9-2-4(7)5(3)8/h1-2H,(H2,8,9)
• InChIKey: OGUAUXDOIHVFPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-5-iodopyridin-4-amine
• IUPAC Traditional name: 3-bromo-5-iodopyridin-4-amine
• Synonyms: 3-Bromo-5-iodo-4-pyridinamine; 4-Amino-3-bromo-5-iodopyridine; 4-氨基-3-溴-5-碘吡啶

Database IDs

• CAS Number: 902837-39-2
• MDL Number: MFCD07781147
• PubChem SID: 180682927
• PubChem CID: 28054476

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2334497
• LogD (pH = 7.4): 1.6148752
• Log P: 1.6243446
• Molar Refractivity: 49.5868 cm^3
• Polarizability: 19.010677 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99%