2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-ol

• ChemBase ID: 53248
• Molecular Formular: C6H9N3O
• Molecular Mass: 139.15516
• Monoisotopic Mass: 139.07456192
• SMILES: C1CNCc2c1n[nH]c2O
• Canonical SMILES: Oc1[nH]nc2c1CNCC2
• InChI: InChI=1S/C6H9N3O/c10-6-4-3-7-2-1-5(4)8-9-6/h7H,1-3H2,(H2,8,9,10)
• InChIKey: AMUAVKXIRPMUBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-ol
• IUPAC Traditional name: 2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-ol
• Synonyms: 4,5,6,7-Tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-ol

Database IDs

• CAS Number: 933728-77-9
• MDL Number: MFCD14708254
• PubChem SID: 162058011
• PubChem CID: 45934275

CALCULATED PROPERTIES

• Acid pKa: 8.957068
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -3.340699
• LogD (pH = 7.4): -2.1271565
• Log P: -0.30878374
• Molar Refractivity: 36.9594 cm^3
• Polarizability: 14.005883 Å^3
• Polar Surface Area: 60.94 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%