(6-amino-1H-indazol-3-yl)methanol

• ChemBase ID: 804215
• Molecular Formular: C8H9N3O
• Molecular Mass: 163.17656
• Monoisotopic Mass: 163.07456192
• SMILES: C(O)c1n[nH]c2cc(ccc12)N
• Canonical SMILES: OCc1n[nH]c2c1ccc(c2)N
• InChI: InChI=1S/C8H9N3O/c9-5-1-2-6-7(3-5)10-11-8(6)4-12/h1-3,12H,4,9H2,(H,10,11)
• InChIKey: NTPZOSGMXMDDMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-amino-1H-indazol-3-yl)methanol
• IUPAC Traditional name: (6-amino-1H-indazol-3-yl)methanol
• Synonyms: (6-AMINO-1H-INDAZOL-3-YL)METHANOL

Database IDs

• CAS Number: 908247-68-7

CALCULATED PROPERTIES

• Acid pKa: 13.836026
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.22191551
• LogD (pH = 7.4): -0.21853952
• Log P: -0.21849614
• Molar Refractivity: 47.0672 cm^3
• Polarizability: 18.229742 Å^3
• Polar Surface Area: 74.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%