6-methyl-1H-indazole

• ChemBase ID: 89813
• Molecular Formular: C8H8N2
• Molecular Mass: 132.16252
• Monoisotopic Mass: 132.06874827
• SMILES: [nH]1ncc2ccc(cc12)C
• Canonical SMILES: Cc1ccc2c(c1)[nH]nc2
• InChI: InChI=1S/C8H8N2/c1-6-2-3-7-5-9-10-8(7)4-6/h2-5H,1H3,(H,9,10)
• InChIKey: HMMPHXCOTBASBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-1H-indazole
• IUPAC Traditional name: 6-methyl-1H-indazole
• Synonyms: 6-Methyl-1H-indazole

Database IDs

• CAS Number: 698-24-8
• MDL Number: MFCD07781625
• PubChem SID: 162076669
• PubChem CID: 12639191

CALCULATED PROPERTIES

• Acid pKa: 12.95249
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8097063
• LogD (pH = 7.4): 1.8097275
• Log P: 1.8097291
• Molar Refractivity: 41.1143 cm^3
• Polarizability: 16.460793 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%