5-chloro-2-iodopyrimidine

• ChemBase ID: 64729
• Molecular Formular: C4H2ClIN2
• Molecular Mass: 240.42955
• Monoisotopic Mass: 239.89512375
• SMILES: c1(ncc(cn1)Cl)I
• Canonical SMILES: Clc1cnc(nc1)I
• InChI: InChI=1S/C4H2ClIN2/c5-3-1-7-4(6)8-2-3/h1-2H
• InChIKey: BWDLBDLGVMLSCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-iodopyrimidine
• IUPAC Traditional name: 5-chloro-2-iodopyrimidine
• Synonyms: 5-Chloro-2-iodopyrimidine

Database IDs

• CAS Number: 874676-81-0
• MDL Number: MFCD08062390
• PubChem SID: 162030468
• PubChem CID: 29938005

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6996408
• LogD (pH = 7.4): 1.6996408
• Log P: 1.6996408
• Molar Refractivity: 40.2302 cm^3
• Polarizability: 16.088192 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%