(4-bromo-3-methylpyridin-2-yl)methanamine

• ChemBase ID: 807193
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: NCc1nccc(c1C)Br
• Canonical SMILES: NCc1nccc(c1C)Br
• InChI: InChI=1S/C7H9BrN2/c1-5-6(8)2-3-10-7(5)4-9/h2-3H,4,9H2,1H3
• InChIKey: FCLQDRMNTKHGAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-bromo-3-methylpyridin-2-yl)methanamine
• IUPAC Traditional name: (4-bromo-3-methylpyridin-2-yl)methanamine
• Synonyms: C-(4-BROMO-3-METHYL-PYRIDIN-2-YL)-METHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4477208
• LogD (pH = 7.4): 0.15636607
• Log P: 1.2449877
• Molar Refractivity: 44.5163 cm^3
• Polarizability: 17.3488 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%