4-(3,5-dibromopyridin-2-yl)morpholine

• ChemBase ID: 61868
• Molecular Formular: C9H10Br2N2O
• Molecular Mass: 321.9965
• Monoisotopic Mass: 319.91598695
• SMILES: c1(ncc(cc1Br)Br)N1CCOCC1
• Canonical SMILES: Brc1cnc(c(c1)Br)N1CCOCC1
• InChI: InChI=1S/C9H10Br2N2O/c10-7-5-8(11)9(12-6-7)13-1-3-14-4-2-13/h5-6H,1-4H2
• InChIKey: FFPQAQCDPWWXTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3,5-dibromopyridin-2-yl)morpholine
• IUPAC Traditional name: 4-(3,5-dibromopyridin-2-yl)morpholine
• Synonyms: 4-(3,5-Dibromopyridin-2-yl)morpholine

Database IDs

• MDL Number: MFCD20921610
• PubChem SID: 162027607
• PubChem CID: 66545210

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7757702
• LogD (pH = 7.4): 2.7770631
• Log P: 2.7770796
• Molar Refractivity: 62.9633 cm^3
• Polarizability: 23.835638 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 102-104 °C; 102-104°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%