[5-bromo-2-(morpholin-4-yl)pyridin-3-yl]methanol

• ChemBase ID: 274095
• Molecular Formular: C10H13BrN2O2
• Molecular Mass: 273.12642
• Monoisotopic Mass: 272.01603967
• SMILES: c1(c(cc(cn1)Br)CO)N1CCOCC1
• Canonical SMILES: OCc1cc(Br)cnc1N1CCOCC1
• InChI: InChI=1S/C10H13BrN2O2/c11-9-5-8(7-14)10(12-6-9)13-1-3-15-4-2-13/h5-6,14H,1-4,7H2
• InChIKey: XIRMDLDIQAPMFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-bromo-2-(morpholin-4-yl)pyridin-3-yl]methanol
• IUPAC Traditional name: [5-bromo-2-(morpholin-4-yl)pyridin-3-yl]methanol
• Synonyms: [5-bromo-2-(morpholin-4-yl)pyridin-3-yl]methanol

Database IDs

• MDL Number: MFCD16159504
• PubChem SID: 164330005
• PubChem CID: 52332334

CALCULATED PROPERTIES

• Acid pKa: 14.54323
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2177774
• LogD (pH = 7.4): 1.2406768
• Log P: 1.2409772
• Molar Refractivity: 62.1564 cm^3
• Polarizability: 23.268847 Å^3
• Polar Surface Area: 45.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.01

Product Information

• Purity: 95%