1-methyl-1H-indazol-5-ol

• ChemBase ID: 69219
• Molecular Formular: C8H8N2O
• Molecular Mass: 148.16192
• Monoisotopic Mass: 148.06366289
• SMILES: n1(ncc2cc(ccc12)O)C
• Canonical SMILES: Oc1ccc2c(c1)cnn2C
• InChI: InChI=1S/C8H8N2O/c1-10-8-3-2-7(11)4-6(8)5-9-10/h2-5,11H,1H3
• InChIKey: NNIUCKWMURTFEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1H-indazol-5-ol
• IUPAC Traditional name: 1-methylindazol-5-ol
• Synonyms: 1-Methyl-1H-indazol-5-ol; 5-Hydroxy-1-methyl-1H-indazole; 1-Methyl-1H-indazol-5-ol

Database IDs

• CAS Number: 132715-69-6; 756839-14-2
• MDL Number: MFCD11869778
• PubChem SID: 162034947
• PubChem CID: 44119240

CALCULATED PROPERTIES

• Acid pKa: 9.45546
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1163425
• LogD (pH = 7.4): 1.1126366
• Log P: 1.1164185
• Molar Refractivity: 53.27 cm^3
• Polarizability: 17.010048 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%