1-methyl-1H-indazol-7-ol

• ChemBase ID: 87401
• Molecular Formular: C8H8N2O
• Molecular Mass: 148.16192
• Monoisotopic Mass: 148.06366289
• SMILES: n1cc2cccc(c2n1C)O
• Canonical SMILES: Oc1cccc2c1n(C)nc2
• InChI: InChI=1S/C8H8N2O/c1-10-8-6(5-9-10)3-2-4-7(8)11/h2-5,11H,1H3
• InChIKey: ZSRWUUAXXXQENT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1H-indazol-7-ol
• IUPAC Traditional name: 1-methylindazol-7-ol
• Synonyms: 1-Methyl-1H-indazol-7-ol; 7-Hydroxy-1-methyl-1H-indazole

Database IDs

• CAS Number: 705927-35-1
• MDL Number: MFCD12028570
• PubChem SID: 162074500
• PubChem CID: 20391322

CALCULATED PROPERTIES

• Log P: 1.1164185
• Molar Refractivity: 53.27 cm^3
• Polarizability: 17.015083 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 9.187183
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1162703
• LogD (pH = 7.4): 1.1094323

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant