4-chloro-6-iodopyrimidine

• ChemBase ID: 814642
• Molecular Formular: C4H2ClIN2
• Molecular Mass: 240.42955
• Monoisotopic Mass: 239.89512375
• SMILES: c1c(ncnc1I)Cl
• Canonical SMILES: Clc1ncnc(c1)I
• InChI: InChI=1S/C4H2ClIN2/c5-3-1-4(6)8-2-7-3/h1-2H
• InChIKey: RVYPGXBNZPGMFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6-iodopyrimidine
• IUPAC Traditional name: 4-chloro-6-iodopyrimidine
• Synonyms: 4-chloro-6-iodopyrimidine

Database IDs

• CAS Number: 258506-74-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8354893
• LogD (pH = 7.4): 1.8354894
• Log P: 1.8354894
• Molar Refractivity: 41.659 cm^3
• Polarizability: 16.037054 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%