2-chloro-3,5-diiodopyridin-4-amine

• ChemBase ID: 43816
• Molecular Formular: C5H3ClI2N2
• Molecular Mass: 380.35266
• Monoisotopic Mass: 379.80742179
• SMILES: c1(c(c(cnc1Cl)I)N)I
• Canonical SMILES: Ic1cnc(c(c1N)I)Cl
• InChI: InChI=1S/C5H3ClI2N2/c6-5-3(8)4(9)2(7)1-10-5/h1H,(H2,9,10)
• InChIKey: ADBYPUPWCVKWCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3,5-diiodopyridin-4-amine
• IUPAC Traditional name: 2-chloro-3,5-diiodopyridin-4-amine
• Synonyms: 2-Chloro-3,5-diiodo-4-pyridinamine

Database IDs

• MDL Number: MFCD12498707
• PubChem SID: 162048579
• PubChem CID: 45588299

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6086116
• LogD (pH = 7.4): 2.6087563
• Log P: 2.6087582
• Molar Refractivity: 61.1926 cm^3
• Polarizability: 23.490818 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 158 - 159 °C; 158-159°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%