3-(6-methylpyridin-2-yl)-1H-indazol-5-ol

• ChemBase ID: 800792
• Molecular Formular: C13H11N3O
• Molecular Mass: 225.24594
• Monoisotopic Mass: 225.09021199
• SMILES: c1(n[nH]c2ccc(cc12)O)c1nc(ccc1)C
• Canonical SMILES: Cc1cccc(n1)c1n[nH]c2c1cc(O)cc2
• InChI: InChI=1S/C13H11N3O/c1-8-3-2-4-12(14-8)13-10-7-9(17)5-6-11(10)15-16-13/h2-7,17H,1H3,(H,15,16)
• InChIKey: YDOAGRPAZCWNRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(6-methylpyridin-2-yl)-1H-indazol-5-ol
• IUPAC Traditional name: 3-(6-methylpyridin-2-yl)-1H-indazol-5-ol
• Synonyms: 3-(6-methylpyridin-2-yl)-1H-indazol-5-ol

CALCULATED PROPERTIES

• Acid pKa: 9.405665
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.3252199
• LogD (pH = 7.4): 2.3211267
• Log P: 2.325366
• Molar Refractivity: 64.8808 cm^3
• Polarizability: 27.136215 Å^3
• Polar Surface Area: 61.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%