2-{2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-2-yl}ethan-1-ol

• ChemBase ID: 254079
• Molecular Formular: C8H13N3O
• Molecular Mass: 167.20832
• Monoisotopic Mass: 167.10586205
• SMILES: c12c(nn(c1)CCO)CCNC2
• Canonical SMILES: OCCn1cc2c(n1)CCNC2
• InChI: InChI=1S/C8H13N3O/c12-4-3-11-6-7-5-9-2-1-8(7)10-11/h6,9,12H,1-5H2
• InChIKey: QRXJMOHGAWWSAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-2-yl}ethan-1-ol
• IUPAC Traditional name: 2-{4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-2-yl}ethanol
• Synonyms: 2-{2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-2-yl}ethan-1-ol

Database IDs

• MDL Number: MFCD09040783
• PubChem SID: 164309989
• PubChem CID: 16228820

CALCULATED PROPERTIES

• Acid pKa: 15.400055
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.5455997
• LogD (pH = 7.4): -1.9164261
• Log P: -0.6609354
• Molar Refractivity: 57.2335 cm^3
• Polarizability: 17.606857 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.212

Product Information

• Purity: 95%