[5-(pyrimidin-5-yl)pyridin-3-yl]methanol

• ChemBase ID: 796862
• Molecular Formular: C10H9N3O
• Molecular Mass: 187.19796
• Monoisotopic Mass: 187.07456192
• SMILES: C(O)c1cncc(c1)c1cncnc1
• Canonical SMILES: OCc1cncc(c1)c1cncnc1
• InChI: InChI=1S/C10H9N3O/c14-6-8-1-9(3-11-2-8)10-4-12-7-13-5-10/h1-5,7,14H,6H2
• InChIKey: DETILZAFBUZOIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(pyrimidin-5-yl)pyridin-3-yl]methanol
• IUPAC Traditional name: [5-(pyrimidin-5-yl)pyridin-3-yl]methanol
• Synonyms: (5-(PyriMidin-5-yl)pyridin-3-yl)Methanol

Database IDs

• CAS Number: 1346809-30-0

CALCULATED PROPERTIES

• Acid pKa: 14.617106
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.30420294
• LogD (pH = 7.4): -0.28826928
• Log P: -0.28806138
• Molar Refractivity: 52.5175 cm^3
• Polarizability: 21.054121 Å^3
• Polar Surface Area: 58.9 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%