4-bromo-5-iodopyridin-2-amine

• ChemBase ID: 292029
• Molecular Formular: C5H4BrIN2
• Molecular Mass: 298.90713
• Monoisotopic Mass: 297.86025814
• SMILES: Nc1ncc(I)c(Br)c1
• Canonical SMILES: Nc1ncc(c(c1)Br)I
• InChI: InChI=1S/C5H4BrIN2/c6-3-1-5(8)9-2-4(3)7/h1-2H,(H2,8,9)
• InChIKey: CKYRRNXPSWKRSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-5-iodopyridin-2-amine
• IUPAC Traditional name: 4-bromo-5-iodopyridin-2-amine
• Synonyms: 4-Bromo-5-iodopyridin-2-amine

Database IDs

• CAS Number: 1186115-39-8
• MDL Number: MFCD16658670
• PubChem SID: 180677560
• PubChem CID: 58022427

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2068942
• LogD (pH = 7.4): 2.2186499
• Log P: 2.218802
• Molar Refractivity: 49.9003 cm^3
• Polarizability: 19.00655 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%