4-(3-iodophenoxy)pyrimidine

• ChemBase ID: 243371
• Molecular Formular: C10H7IN2O
• Molecular Mass: 298.07985
• Monoisotopic Mass: 297.96031085
• SMILES: n1c(Oc2cc(I)ccc2)ccnc1
• Canonical SMILES: Ic1cccc(c1)Oc1ccncn1
• InChI: InChI=1S/C10H7IN2O/c11-8-2-1-3-9(6-8)14-10-4-5-12-7-13-10/h1-7H
• InChIKey: DFIAGWUAJJEROA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-iodophenoxy)pyrimidine
• IUPAC Traditional name: 4-(3-iodophenoxy)pyrimidine
• Synonyms: 4-(3-iodophenoxy)pyrimidine

Database IDs

• MDL Number: MFCD14659276
• PubChem SID: 164299281
• PubChem CID: 61400164

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0730581
• LogD (pH = 7.4): 3.07342
• Log P: 3.0734246
• Molar Refractivity: 62.6391 cm^3
• Polarizability: 24.023321 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.909

Product Information

• Purity: 95%