2-(5-bromo-4-methylpyridin-2-yl)ethan-1-amine

• ChemBase ID: 807326
• Molecular Formular: C8H11BrN2
• Molecular Mass: 215.09034
• Monoisotopic Mass: 214.01056036
• SMILES: NCCc1ncc(c(c1)C)Br
• Canonical SMILES: Cc1cc(CCN)ncc1Br
• InChI: InChI=1S/C8H11BrN2/c1-6-4-7(2-3-10)11-5-8(6)9/h4-5H,2-3,10H2,1H3
• InChIKey: YCFBAKUKZBLMHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-bromo-4-methylpyridin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(5-bromo-4-methylpyridin-2-yl)ethanamine
• Synonyms: 2-(5-BROMO-4-METHYL-PYRIDIN-2-YL)-ETHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5172225
• LogD (pH = 7.4): -0.6591224
• Log P: 1.4820005
• Molar Refractivity: 49.2157 cm^3
• Polarizability: 19.099262 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%