2-chloro-3,4-diiodopyridine

• ChemBase ID: 143092
• Molecular Formular: C5H2ClI2N
• Molecular Mass: 365.33802
• Monoisotopic Mass: 364.79652275
• SMILES: c1cnc(c(c1I)I)Cl
• Canonical SMILES: Ic1c(I)ccnc1Cl
• InChI: InChI=1S/C5H2ClI2N/c6-5-4(8)3(7)1-2-9-5/h1-2H
• InChIKey: KVKNKYILEPWLQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3,4-diiodopyridine
• IUPAC Traditional name: 2-chloro-3,4-diiodopyridine
• Synonyms: 2-Chloro-3,4-diiodopyridine; 2-氯-3,4-二碘吡啶

Database IDs

• CAS Number: 153034-91-4
• MDL Number: MFCD16878974
• PubChem SID: 162237315
• PubChem CID: 10428900

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.437684
• LogD (pH = 7.4): 3.4376843
• Log P: 3.4376843
• Molar Refractivity: 56.4922 cm^3
• Polarizability: 22.304916 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 159-163 °C

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C5H2ClI2N

DETAILS

Sigma Aldrich - 724084

Packaging
500 mg in glass bottle