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

• ChemBase ID: 813683
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: C(N)c1cc(ncc1Br)C
• Canonical SMILES: NCc1cc(C)ncc1Br
• InChI: InChI=1S/C7H9BrN2/c1-5-2-6(3-9)7(8)4-10-5/h2,4H,3,9H2,1H3
• InChIKey: GFLDHMGZRLPQES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-bromo-2-methylpyridin-4-yl)methanamine
• IUPAC Traditional name: (5-bromo-2-methylpyridin-4-yl)methanamine
• Synonyms: (5-bromo-2-methylpyridin-4-yl)methanamine

Database IDs

• CAS Number: 1060810-17-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1489127
• LogD (pH = 7.4): -0.91241235
• Log P: 0.78146464
• Molar Refractivity: 44.5888 cm^3
• Polarizability: 17.351582 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%