2-[(pyridin-2-yl)amino]quinolin-8-ol

• ChemBase ID: 310620
• Molecular Formular: C14H11N3O
• Molecular Mass: 237.25664
• Monoisotopic Mass: 237.09021199
• SMILES: n1c2c(O)cccc2ccc1Nc1ncccc1
• Canonical SMILES: Oc1cccc2c1nc(cc2)Nc1ccccn1
• InChI: InChI=1S/C14H11N3O/c18-11-5-3-4-10-7-8-13(17-14(10)11)16-12-6-1-2-9-15-12/h1-9,18H,(H,15,16,17)
• InChIKey: OOARQNZKJHFUSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(pyridin-2-yl)amino]quinolin-8-ol
• IUPAC Traditional name: 2-(pyridin-2-ylamino)quinolin-8-ol
• Synonyms: 2-(2-pyridinylamino)-8-quinolinol

Database IDs

• CAS Number: 70125-23-4
• MDL Number: MFCD00168938

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.0576398
• LogD (pH = 7.4): 3.2298834
• Log P: 3.2385035
• Molar Refractivity: 68.9165 cm^3
• Polarizability: 27.404938 Å^3
• Polar Surface Area: 58.04 Å^2