6-bromo-2-(morpholin-4-yl)pyridin-3-amine

• ChemBase ID: 115842
• Molecular Formular: C9H12BrN3O
• Molecular Mass: 258.11508
• Monoisotopic Mass: 257.01637402
• SMILES: c1(nc(ccc1N)Br)N1CCOCC1
• Canonical SMILES: Nc1ccc(nc1N1CCOCC1)Br
• InChI: InChI=1S/C9H12BrN3O/c10-8-2-1-7(11)9(12-8)13-3-5-14-6-4-13/h1-2H,3-6,11H2
• InChIKey: NCADJQCSZDXPHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-(morpholin-4-yl)pyridin-3-amine
• IUPAC Traditional name: 6-bromo-2-(morpholin-4-yl)pyridin-3-amine
• Synonyms: 6-bromo-2-morpholin-4-ylpyridin-3-amine

Database IDs

• MDL Number: MFCD16652973
• PubChem SID: 162100465
• PubChem CID: 15833250

CALCULATED PROPERTIES

• Molar Refractivity: 60.8831 cm^3
• Polarizability: 21.986082 Å^3
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3820844
• LogD (pH = 7.4): 1.3848871
• Log P: 1.384923

PROPERTIES

Physical Property

• Partition Coefficient: 1.089

Product Information

• Purity: 95+%