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

• ChemBase ID: 288593
• Molecular Formular: C8H8N2O
• Molecular Mass: 148.16192
• Monoisotopic Mass: 148.06366289
• SMILES: Oc1cc2c([nH]nc2)cc1C
• Canonical SMILES: Oc1cc2cn[nH]c2cc1C
• InChI: InChI=1S/C8H8N2O/c1-5-2-7-6(3-8(5)11)4-9-10-7/h2-4,11H,1H3,(H,9,10)
• InChIKey: NTOBXXNRFCWTAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-1H-indazol-5-ol
• IUPAC Traditional name: 6-methyl-1H-indazol-5-ol
• Synonyms: 6-Methyl-1H-indazol-5-ol

Database IDs

• CAS Number: 478832-60-9
• MDL Number: MFCD08704815
• PubChem SID: 180674124
• PubChem CID: 22934018

CALCULATED PROPERTIES

• Acid pKa: 9.751182
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5060952
• LogD (pH = 7.4): 1.5042444
• Log P: 1.5061637
• Molar Refractivity: 43.0952 cm^3
• Polarizability: 17.012302 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%