3-fluoro-2-(morpholin-4-yl)pyridin-4-ol

• ChemBase ID: 98194
• Molecular Formular: C9H11FN2O2
• Molecular Mass: 198.1942432
• Monoisotopic Mass: 198.08045582
• SMILES: N1(c2c(c(ccn2)O)F)CCOCC1
• Canonical SMILES: Fc1c(O)ccnc1N1CCOCC1
• InChI: InChI=1S/C9H11FN2O2/c10-8-7(13)1-2-11-9(8)12-3-5-14-6-4-12/h1-2H,3-6H2,(H,11,13)
• InChIKey: WKTXUGMKDNNHHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-2-(morpholin-4-yl)pyridin-4-ol
• IUPAC Traditional name: 3-fluoro-2-(morpholin-4-yl)pyridin-4-ol
• Synonyms: 3-Fluoro-2-(morpholin-4-yl)pyridin-4-ol; 4-(3-Fluoro-4-hydroxypyridin-2-yl)morpholine; 3-Fluoro-4-hydroxy-2-(morpholin-4-yl)pyridine

Database IDs

• PubChem SID: 162105164
• PubChem CID: 71300108

CALCULATED PROPERTIES

• Acid pKa: 10.091825
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0784333
• LogD (pH = 7.4): 1.0778412
• Log P: 1.0787109
• Molar Refractivity: 49.915 cm^3
• Polarizability: 18.280298 Å^3
• Polar Surface Area: 45.59 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Air Sensitive/Store under Argon