N-(5-fluoropyridin-2-yl)-6-(morpholin-2-yl)pyridin-2-amine

• ChemBase ID: 62365
• Molecular Formular: C14H15FN4O
• Molecular Mass: 274.2935032
• Monoisotopic Mass: 274.12298934
• SMILES: n1c(Nc2ncc(F)cc2)cccc1C1OCCNC1
• Canonical SMILES: Fc1ccc(nc1)Nc1cccc(n1)C1CNCCO1
• InChI: InChI=1S/C14H15FN4O/c15-10-4-5-13(17-8-10)19-14-3-1-2-11(18-14)12-9-16-6-7-20-12/h1-5,8,12,16H,6-7,9H2,(H,17,18,19)
• InChIKey: LUTJYUPAFAETBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-fluoropyridin-2-yl)-6-(morpholin-2-yl)pyridin-2-amine
• IUPAC Traditional name: N-(5-fluoropyridin-2-yl)-6-(morpholin-2-yl)pyridin-2-amine
• Synonyms: (5-Fluoro-pyridin-2-yl)-(6-morpholin-2-yl-pyridin-2-yl)-amine

Database IDs

• MDL Number: MFCD19691436
• PubChem SID: 162028104
• PubChem CID: 66509688

CALCULATED PROPERTIES

• Acid pKa: 13.655297
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.36050785
• LogD (pH = 7.4): 1.3588194
• Log P: 1.9427203
• Molar Refractivity: 72.6194 cm^3
• Polarizability: 27.796022 Å^3
• Polar Surface Area: 59.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false