6-bromo-5-iodopyridin-3-amine

• ChemBase ID: 286958
• Molecular Formular: C5H4BrIN2
• Molecular Mass: 298.90713
• Monoisotopic Mass: 297.86025814
• SMILES: Nc1cnc(Br)c(I)c1
• Canonical SMILES: Nc1cnc(c(c1)I)Br
• InChI: InChI=1S/C5H4BrIN2/c6-5-4(7)1-3(8)2-9-5/h1-2H,8H2
• InChIKey: IPXYLSOVGIWPLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-5-iodopyridin-3-amine
• IUPAC Traditional name: 6-bromo-5-iodopyridin-3-amine
• Synonyms: 6-Bromo-5-iodopyridin-3-amine

Database IDs

• CAS Number: 697300-68-8
• PubChem SID: 180672489
• PubChem CID: 53404461

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8298633
• LogD (pH = 7.4): 1.8298665
• Log P: 1.8298665
• Molar Refractivity: 50.429 cm^3
• Polarizability: 19.0551 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%