2-methyl-2H-indazol-7-ol

• ChemBase ID: 87405
• Molecular Formular: C8H8N2O
• Molecular Mass: 148.16192
• Monoisotopic Mass: 148.06366289
• SMILES: n1(cc2cccc(c2n1)O)C
• Canonical SMILES: Cn1cc2c(n1)c(O)ccc2
• InChI: InChI=1S/C8H8N2O/c1-10-5-6-3-2-4-7(11)8(6)9-10/h2-5,11H,1H3
• InChIKey: AFUFVUWPYINWBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2H-indazol-7-ol
• IUPAC Traditional name: 2-methylindazol-7-ol
• Synonyms: 2-Methyl-2H-indazol-7-ol; 7-Hydroxy-2-methyl-2H-indazole

Database IDs

• PubChem SID: 162104472
• PubChem CID: 44119249

CALCULATED PROPERTIES

• Acid pKa: 8.194473
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4719932
• LogD (pH = 7.4): 1.4087535
• Log P: 1.4728676
• Molar Refractivity: 53.0205 cm^3
• Polarizability: 17.023716 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant