4-(5-bromo-3-methylpyridin-2-yl)morpholine

• ChemBase ID: 48619
• Molecular Formular: C10H13BrN2O
• Molecular Mass: 257.12702
• Monoisotopic Mass: 256.02112505
• SMILES: c1(ncc(cc1C)Br)N1CCOCC1
• Canonical SMILES: Brc1cnc(c(c1)C)N1CCOCC1
• InChI: InChI=1S/C10H13BrN2O/c1-8-6-9(11)7-12-10(8)13-2-4-14-5-3-13/h6-7H,2-5H2,1H3
• InChIKey: ACLZPQWHEFDNBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-bromo-3-methylpyridin-2-yl)morpholine
• IUPAC Traditional name: 4-(5-bromo-3-methylpyridin-2-yl)morpholine
• Synonyms: 5-Bromo-3-methyl-2-(morpholino)pyridine; 4-(5-Bromo-3-methyl-2-pyridinyl)morpholine

Database IDs

• CAS Number: 566158-47-2
• MDL Number: MFCD11109817
• PubChem SID: 162053382
• PubChem CID: 16748392

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3889024
• LogD (pH = 7.4): 2.519773
• Log P: 2.5217483
• Molar Refractivity: 60.3817 cm^3
• Polarizability: 22.50463 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%