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

• ChemBase ID: 813684
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: C(N)c1nc(ccc1Br)C
• Canonical SMILES: NCc1nc(C)ccc1Br
• InChI: InChI=1S/C7H9BrN2/c1-5-2-3-6(8)7(4-9)10-5/h2-3H,4,9H2,1H3
• InChIKey: UGQKCBFNLLLJCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1060810-19-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7778059
• LogD (pH = 7.4): -0.14329827
• Log P: 0.8629365
• Molar Refractivity: 44.0666 cm^3
• Polarizability: 17.352571 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%