2-(4-aminophenyl)pyridin-3-ol

• ChemBase ID: 25055
• Molecular Formular: C11H10N2O
• Molecular Mass: 186.2099
• Monoisotopic Mass: 186.07931295
• SMILES: c1(ncccc1O)c1ccc(N)cc1
• Canonical SMILES: Nc1ccc(cc1)c1ncccc1O
• InChI: InChI=1S/C11H10N2O/c12-9-5-3-8(4-6-9)11-10(14)2-1-7-13-11/h1-7,14H,12H2
• InChIKey: PSCITZRLRGWIHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-aminophenyl)pyridin-3-ol
• IUPAC Traditional name: 2-(4-aminophenyl)pyridin-3-ol
• Synonyms: 2-(4-aminophenyl)-3-pyridinol; 2-(4-Aminophenyl)pyridin-3-ol

Database IDs

• CAS Number: 30820-91-8
• MDL Number: MFCD00466475
• PubChem SID: 160988362
• PubChem CID: 770069

CALCULATED PROPERTIES

• Acid pKa: 9.267329
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4847056
• LogD (pH = 7.4): 1.6475006
• Log P: 1.6561579
• Molar Refractivity: 55.3466 cm^3
• Polarizability: 22.160378 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false