5-bromo-6-chloro-3-iodopyridin-2-amine

• ChemBase ID: 65616
• Molecular Formular: C5H3BrClIN2
• Molecular Mass: 333.35219
• Monoisotopic Mass: 331.82128579
• SMILES: c1(c(nc(c(c1)I)N)Cl)Br
• Canonical SMILES: Brc1cc(I)c(nc1Cl)N
• InChI: InChI=1S/C5H3BrClIN2/c6-2-1-3(8)5(9)10-4(2)7/h1H,(H2,9,10)
• InChIKey: PJYDRNBLKAWYNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-6-chloro-3-iodopyridin-2-amine
• IUPAC Traditional name: 5-bromo-6-chloro-3-iodopyridin-2-amine
• Synonyms: 5-Bromo-6-chloro-3-iodopyridin-2-amine

Database IDs

• CAS Number: 1207625-23-7
• MDL Number: MFCD20486994
• PubChem SID: 162031355
• PubChem CID: 71299114

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.043023
• LogD (pH = 7.4): 3.0430238
• Log P: 3.0430238
• Molar Refractivity: 55.7664 cm^3
• Polarizability: 21.094025 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%