4-(6-bromopyridin-2-yl)-2,6-dimethylmorpholine

• ChemBase ID: 813823
• Molecular Formular: C11H15BrN2O
• Molecular Mass: 271.1536
• Monoisotopic Mass: 270.03677511
• SMILES: C1C(OC(CN1c1nc(ccc1)Br)C)C
• Canonical SMILES: CC1OC(C)CN(C1)c1cccc(n1)Br
• InChI: InChI=1S/C11H15BrN2O/c1-8-6-14(7-9(2)15-8)11-5-3-4-10(12)13-11/h3-5,8-9H,6-7H2,1-2H3
• InChIKey: OMHYHPZGWPNZOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(6-bromopyridin-2-yl)-2,6-dimethylmorpholine
• IUPAC Traditional name: 4-(6-bromopyridin-2-yl)-2,6-dimethylmorpholine
• Synonyms: 4-(6-bromopyridin-2-yl)-2,6-dimethylmorpholine

Database IDs

• CAS Number: 1060813-18-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0461833
• LogD (pH = 7.4): 3.0469887
• Log P: 3.046999
• Molar Refractivity: 65.0203 cm^3
• Polarizability: 24.441029 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%