(5-bromo-2-methoxypyridin-3-yl)methanamine

• ChemBase ID: 807270
• Molecular Formular: C7H9BrN2O
• Molecular Mass: 217.06316
• Monoisotopic Mass: 215.98982492
• SMILES: NCc1c(ncc(c1)Br)OC
• Canonical SMILES: COc1ncc(cc1CN)Br
• InChI: InChI=1S/C7H9BrN2O/c1-11-7-5(3-9)2-6(8)4-10-7/h2,4H,3,9H2,1H3
• InChIKey: PKFXUPJXWBPWJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-bromo-2-methoxypyridin-3-yl)methanamine
• IUPAC Traditional name: (5-bromo-2-methoxypyridin-3-yl)methanamine
• Synonyms: (5-BROMO-2-METHOXY-PYRIDIN-3-YL)METHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6492882
• LogD (pH = 7.4): -0.078453176
• Log P: 1.0868807
• Molar Refractivity: 46.774 cm^3
• Polarizability: 18.175833 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%