2-methyl-2H-indazol-6-ol

• ChemBase ID: 87404
• Molecular Formular: C8H8N2O
• Molecular Mass: 148.16192
• Monoisotopic Mass: 148.06366289
• SMILES: n1(cc2ccc(cc2n1)O)C
• Canonical SMILES: Oc1ccc2c(c1)nn(c2)C
• InChI: InChI=1S/C8H8N2O/c1-10-5-6-2-3-7(11)4-8(6)9-10/h2-5,11H,1H3
• InChIKey: VREJRTXKMYMPEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2H-indazol-6-ol
• IUPAC Traditional name: 2-methylindazol-6-ol
• Synonyms: 2-Methyl-2H-indazol-6-ol; 6-Hydroxy-2-methyl-2H-indazole

Database IDs

• MDL Number: MFCD00456127
• PubChem SID: 162074502
• PubChem CID: 13946973

CALCULATED PROPERTIES

• Acid pKa: 9.163433
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4727352
• LogD (pH = 7.4): 1.4654927
• Log P: 1.4728676
• Molar Refractivity: 53.0205 cm^3
• Polarizability: 17.016754 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant