2-phenylpyrimidin-5-ol

• ChemBase ID: 256199
• Molecular Formular: C10H8N2O
• Molecular Mass: 172.18332
• Monoisotopic Mass: 172.06366289
• SMILES: c1(ncc(cn1)O)c1ccccc1
• Canonical SMILES: Oc1cnc(nc1)c1ccccc1
• InChI: InChI=1S/C10H8N2O/c13-9-6-11-10(12-7-9)8-4-2-1-3-5-8/h1-7,13H
• InChIKey: VXOJYMHSOARYSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylpyrimidin-5-ol
• IUPAC Traditional name: 2-phenylpyrimidin-5-ol
• Synonyms: 2-phenylpyrimidin-5-ol

Database IDs

• MDL Number: MFCD10686801
• PubChem SID: 164312109
• PubChem CID: 598996

CALCULATED PROPERTIES

• Acid pKa: 8.8444
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1183653
• LogD (pH = 7.4): 2.103775
• Log P: 2.1186118
• Molar Refractivity: 60.1143 cm^3
• Polarizability: 19.425077 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.407

Product Information

• Purity: 95%; 98%