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

• ChemBase ID: 288039
• Molecular Formular: C9H10BrClN2O
• Molecular Mass: 277.5455
• Monoisotopic Mass: 275.96650263
• SMILES: Clc1cc(Br)cnc1N1CCOCC1
• Canonical SMILES: Brc1cnc(c(c1)Cl)N1CCOCC1
• InChI: InChI=1S/C9H10BrClN2O/c10-7-5-8(11)9(12-6-7)13-1-3-14-4-2-13/h5-6H,1-4H2
• InChIKey: RIPNXWDOUNUVSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-bromo-3-chloropyridin-2-yl)morpholine
• IUPAC Traditional name: 4-(5-bromo-3-chloropyridin-2-yl)morpholine
• Synonyms: 4-(5-Bromo-3-chloropyridin-2-yl)morpholine

Database IDs

• CAS Number: 1199773-09-5
• PubChem SID: 180673570
• PubChem CID: 53217362

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6113563
• LogD (pH = 7.4): 2.6123588
• Log P: 2.6123717
• Molar Refractivity: 60.1453 cm^3
• Polarizability: 22.757929 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%