3-bromo-5-iodopyridin-2-amine

• ChemBase ID: 180380
• Molecular Formular: C5H4BrIN2
• Molecular Mass: 298.90713
• Monoisotopic Mass: 297.86025814
• SMILES: c1(c(cc(cn1)I)Br)N
• Canonical SMILES: Ic1cnc(c(c1)Br)N
• InChI: InChI=1S/C5H4BrIN2/c6-4-1-3(7)2-9-5(4)8/h1-2H,(H2,8,9)
• InChIKey: OYZOHRSCEASBER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-5-iodopyridin-2-amine
• IUPAC Traditional name: 3-bromo-5-iodopyridin-2-amine
• Synonyms: 3-Bromo-5-iodopyridin-2-amine; 3-Bromo-5-iodo-2-aminopyridine

Database IDs

• CAS Number: 697300-73-5
• MDL Number: MFCD08272065
• PubChem SID: 164236290
• PubChem CID: 17609441

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2148278
• LogD (pH = 7.4): 2.218752
• Log P: 2.218802
• Molar Refractivity: 49.9003 cm^3
• Polarizability: 19.008224 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%