2-iodopyrimidine

• ChemBase ID: 270821
• Molecular Formular: C4H3IN2
• Molecular Mass: 205.98449
• Monoisotopic Mass: 205.93409611
• SMILES: c1(ncccn1)I
• Canonical SMILES: Ic1ncccn1
• InChI: InChI=1S/C4H3IN2/c5-4-6-2-1-3-7-4/h1-3H
• InChIKey: AXDGIPMYJALRKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodopyrimidine
• IUPAC Traditional name: 2-iodopyrimidine
• Synonyms: 2-iodopyrimidine

Database IDs

• CAS Number: 31462-54-1
• MDL Number: MFCD09835340
• PubChem SID: 164326731
• PubChem CID: 11356200

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.095596
• LogD (pH = 7.4): 1.0955961
• Log P: 1.0955961
• Molar Refractivity: 35.4254 cm^3
• Polarizability: 14.051894 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.249

Product Information

• Purity: 95%; 95+%