2-(pyridin-2-yl)pyrimidin-4-ol

• ChemBase ID: 798847
• Molecular Formular: C9H7N3O
• Molecular Mass: 173.17138
• Monoisotopic Mass: 173.05891186
• SMILES: c1c(nc(nc1)c1ncccc1)O
• Canonical SMILES: Oc1ccnc(n1)c1ccccn1
• InChI: InChI=1S/C9H7N3O/c13-8-4-6-11-9(12-8)7-3-1-2-5-10-7/h1-6H,(H,11,12,13)
• InChIKey: WWOVEPANCBTFIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-2-yl)pyrimidin-4-ol
• IUPAC Traditional name: 2-(pyridin-2-yl)pyrimidin-4-ol
• Synonyms: 2-pyridin-2-yl-pyrimidin-4-ol

Database IDs

• CAS Number: 64264-15-9

CALCULATED PROPERTIES

• Acid pKa: 12.210127
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8982924
• LogD (pH = 7.4): 1.8983258
• Log P: 1.8983328
• Molar Refractivity: 57.8989 cm^3
• Polarizability: 18.531384 Å^3
• Polar Surface Area: 58.9 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%