8-iodoquinazolin-4-ol

• ChemBase ID: 289729
• Molecular Formular: C8H5IN2O
• Molecular Mass: 272.04257
• Monoisotopic Mass: 271.94466079
• SMILES: Oc1c2cccc(I)c2ncn1
• Canonical SMILES: Ic1cccc2c1ncnc2O
• InChI: InChI=1S/C8H5IN2O/c9-6-3-1-2-5-7(6)10-4-11-8(5)12/h1-4H,(H,10,11,12)
• InChIKey: ZCDKMEWIBQJRGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-iodoquinazolin-4-ol
• IUPAC Traditional name: 8-iodoquinazolin-4-ol
• Synonyms: 8-Iodoquinazolin-4-ol

Database IDs

• CAS Number: 77150-36-8
• PubChem SID: 180675260
• PubChem CID: 12667712

CALCULATED PROPERTIES

• Acid pKa: 12.510674
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.644899
• LogD (pH = 7.4): 2.6448958
• Log P: 2.6448991
• Molar Refractivity: 54.4574 cm^3
• Polarizability: 21.78692 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%