2-[(5-methoxy-1H-indazol-3-yl)oxy]acetonitrile

• ChemBase ID: 810287
• Molecular Formular: C10H9N3O2
• Molecular Mass: 203.19736
• Monoisotopic Mass: 203.06947654
• SMILES: C(C#N)Oc1n[nH]c2ccc(cc12)OC
• Canonical SMILES: COc1cc2c(OCC#N)n[nH]c2cc1
• InChI: InChI=1S/C10H9N3O2/c1-14-7-2-3-9-8(6-7)10(13-12-9)15-5-4-11/h2-3,6H,5H2,1H3,(H,12,13)
• InChIKey: HZCIWFCLROOFQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(5-methoxy-1H-indazol-3-yl)oxy]acetonitrile
• IUPAC Traditional name: 2-[(5-methoxy-1H-indazol-3-yl)oxy]acetonitrile
• Synonyms: 2-(5-METHOXY-1H-INDAZOL-3-YLOXY)ACETONITRILE

CALCULATED PROPERTIES

• Acid pKa: 13.789492
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1113521
• LogD (pH = 7.4): 1.1113547
• Log P: 1.1113548
• Molar Refractivity: 54.3769 cm^3
• Polarizability: 21.361721 Å^3
• Polar Surface Area: 70.93 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%