5-fluoro-N-(oxan-4-yl)pyridin-2-amine

• ChemBase ID: 273635
• Molecular Formular: C10H13FN2O
• Molecular Mass: 196.2214232
• Monoisotopic Mass: 196.10119127
• SMILES: n1c(NC2CCOCC2)ccc(c1)F
• Canonical SMILES: Fc1ccc(nc1)NC1CCOCC1
• InChI: InChI=1S/C10H13FN2O/c11-8-1-2-10(12-7-8)13-9-3-5-14-6-4-9/h1-2,7,9H,3-6H2,(H,12,13)
• InChIKey: DGYWCGILBGNERL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-N-(oxan-4-yl)pyridin-2-amine
• IUPAC Traditional name: 5-fluoro-N-(oxan-4-yl)pyridin-2-amine
• Synonyms: 5-fluoro-N-(oxan-4-yl)pyridin-2-amine

Database IDs

• MDL Number: MFCD14621370
• PubChem SID: 164329545
• PubChem CID: 52092806

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9187356
• LogD (pH = 7.4): 0.92659587
• Log P: 0.9266971
• Molar Refractivity: 53.1003 cm^3
• Polarizability: 19.44063 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 115 - 117°C
• Hydrophobicity(logP): 1.022

Product Information

• Purity: 95%