[5-(pyrimidin-2-yl)pyridin-3-yl]methanol

• ChemBase ID: 796867
• Molecular Formular: C10H9N3O
• Molecular Mass: 187.19796
• Monoisotopic Mass: 187.07456192
• SMILES: C(O)c1cncc(c1)c1ncccn1
• Canonical SMILES: OCc1cncc(c1)c1ncccn1
• InChI: InChI=1S/C10H9N3O/c14-7-8-4-9(6-11-5-8)10-12-2-1-3-13-10/h1-6,14H,7H2
• InChIKey: LSYFQJYFHKKWTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(pyrimidin-2-yl)pyridin-3-yl]methanol
• IUPAC Traditional name: [5-(pyrimidin-2-yl)pyridin-3-yl]methanol
• Synonyms: (5-(PyriMidin-2-yl)pyridin-3-yl)Methanol

Database IDs

• CAS Number: 1346687-30-6

CALCULATED PROPERTIES

• Acid pKa: 14.523691
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.39977667
• LogD (pH = 7.4): 0.40341693
• Log P: 0.4034636
• Molar Refractivity: 62.7924 cm^3
• Polarizability: 20.373493 Å^3
• Polar Surface Area: 58.9 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%