6-[4-(morpholin-4-yl)phenyl]pyridazin-3-ol

• ChemBase ID: 114185
• Molecular Formular: C14H15N3O2
• Molecular Mass: 257.2878
• Monoisotopic Mass: 257.11642674
• SMILES: n1nc(ccc1c1ccc(N2CCOCC2)cc1)O
• Canonical SMILES: Oc1ccc(nn1)c1ccc(cc1)N1CCOCC1
• InChI: InChI=1S/C14H15N3O2/c18-14-6-5-13(15-16-14)11-1-3-12(4-2-11)17-7-9-19-10-8-17/h1-6H,7-10H2,(H,16,18)
• InChIKey: WFAXVXYIVHUOOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[4-(morpholin-4-yl)phenyl]pyridazin-3-ol
• IUPAC Traditional name: 6-[4-(morpholin-4-yl)phenyl]pyridazin-3-ol
• Synonyms: 6-(4-morpholin-4-ylphenyl)pyridazin-3-ol

Database IDs

• MDL Number: MFCD16652675
• PubChem SID: 162099130
• PubChem CID: 33676088

CALCULATED PROPERTIES

• Acid pKa: 8.584527
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.9889067
• LogD (pH = 7.4): 1.9621793
• Log P: 1.9893148
• Molar Refractivity: 74.3261 cm^3
• Polarizability: 28.565582 Å^3
• Polar Surface Area: 58.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.411

Product Information

• Purity: 95+%