(2-bromo-6-methylpyridin-3-yl)methanamine

• ChemBase ID: 813678
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: C(N)c1c(nc(cc1)C)Br
• Canonical SMILES: Cc1ccc(c(n1)Br)CN
• InChI: InChI=1S/C7H9BrN2/c1-5-2-3-6(4-9)7(8)10-5/h2-3H,4,9H2,1H3
• InChIKey: NMPPRUIUMFNNJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-bromo-6-methylpyridin-3-yl)methanamine
• IUPAC Traditional name: (2-bromo-6-methylpyridin-3-yl)methanamine
• Synonyms: (2-bromo-6-methylpyridin-3-yl)methanamine

Database IDs

• CAS Number: 1060810-12-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9158322
• LogD (pH = 7.4): -0.59736896
• Log P: 0.98698664
• Molar Refractivity: 45.431 cm^3
• Polarizability: 17.401266 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%