6-(pyridin-2-yl)-1H-indazole

• ChemBase ID: 813001
• Molecular Formular: C12H9N3
• Molecular Mass: 195.21996
• Monoisotopic Mass: 195.0796473
• SMILES: c1n[nH]c2cc(ccc12)c1ncccc1
• Canonical SMILES: c1ccc(nc1)c1ccc2c(c1)[nH]nc2
• InChI: InChI=1S/C12H9N3/c1-2-6-13-11(3-1)9-4-5-10-8-14-15-12(10)7-9/h1-8H,(H,14,15)
• InChIKey: JIHRBWWNIBSKEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(pyridin-2-yl)-1H-indazole
• IUPAC Traditional name: 6-(pyridin-2-yl)-1H-indazole
• Synonyms: 6-PYRIDIN-2-YL-1H-INDAZOLE

Database IDs

• CAS Number: 885272-07-1

CALCULATED PROPERTIES

• Acid pKa: 11.764318
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0839186
• LogD (pH = 7.4): 2.1113305
• Log P: 2.111711
• Molar Refractivity: 58.6804 cm^3
• Polarizability: 24.838665 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%