4-chloro-5-iodo-2-methylpyrimidine

• ChemBase ID: 243041
• Molecular Formular: C5H4ClIN2
• Molecular Mass: 254.45613
• Monoisotopic Mass: 253.91077382
• SMILES: n1c(c(cnc1C)I)Cl
• Canonical SMILES: Cc1ncc(c(n1)Cl)I
• InChI: InChI=1S/C5H4ClIN2/c1-3-8-2-4(7)5(6)9-3/h2H,1H3
• InChIKey: FOISKYZVFJWSNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-5-iodo-2-methylpyrimidine
• IUPAC Traditional name: 4-chloro-5-iodo-2-methylpyrimidine
• Synonyms: 4-chloro-5-iodo-2-methylpyrimidine

Database IDs

• MDL Number: MFCD09746250
• PubChem SID: 164298951
• PubChem CID: 13636517

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.298223
• LogD (pH = 7.4): 2.298305
• Log P: 2.298306
• Molar Refractivity: 46.5753 cm^3
• Polarizability: 17.693638 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.075

Product Information

• Purity: 95%