(1-methyl-1H-indazol-6-yl)methanol

• ChemBase ID: 87419
• Molecular Formular: C9H10N2O
• Molecular Mass: 162.1885
• Monoisotopic Mass: 162.07931295
• SMILES: n1(c2cc(ccc2cn1)CO)C
• Canonical SMILES: Cn1ncc2c1cc(CO)cc2
• InChI: InChI=1S/C9H10N2O/c1-11-9-4-7(6-12)2-3-8(9)5-10-11/h2-5,12H,6H2,1H3
• InChIKey: BVPUKTSBKDFGBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methyl-1H-indazol-6-yl)methanol
• IUPAC Traditional name: (1-methylindazol-6-yl)methanol
• Synonyms: (1-Methyl-1H-indazol-6-yl)methanol; 6-(Hydroxymethyl)-1-methyl-1H-indazole

Database IDs

• CAS Number: 1092961-10-8
• MDL Number: MFCD11052638
• PubChem SID: 162074507
• PubChem CID: 44119265

CALCULATED PROPERTIES

• Acid pKa: 14.890549
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6526195
• LogD (pH = 7.4): 0.6526338
• Log P: 0.65263397
• Molar Refractivity: 58.105 cm^3
• Polarizability: 18.866701 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant