6-chloro-5-iodopyrimidin-4-ol

• ChemBase ID: 237156
• Molecular Formular: C4H2ClIN2O
• Molecular Mass: 256.42895
• Monoisotopic Mass: 255.89003837
• SMILES: c1(c(ncnc1O)Cl)I
• Canonical SMILES: Ic1c(O)ncnc1Cl
• InChI: InChI=1S/C4H2ClIN2O/c5-3-2(6)4(9)8-1-7-3/h1H,(H,7,8,9)
• InChIKey: FVUCFWQMHIUOHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-5-iodopyrimidin-4-ol
• IUPAC Traditional name: 6-chloro-5-iodopyrimidin-4-ol
• Synonyms: 6-chloro-5-iodopyrimidin-4-ol

Database IDs

• MDL Number: MFCD22369901
• PubChem SID: 164293066
• PubChem CID: 71755879

CALCULATED PROPERTIES

• Acid pKa: 10.077709
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0937827
• LogD (pH = 7.4): 2.0928972
• Log P: 2.093794
• Molar Refractivity: 44.2453 cm^3
• Polarizability: 16.73395 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 274 - 276°C
• Hydrophobicity(logP): 1.859

Product Information

• Purity: 95%