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

• ChemBase ID: 813685
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: C(N)c1cnc(cc1Br)C
• Canonical SMILES: Cc1cc(Br)c(cn1)CN
• InChI: InChI=1S/C7H9BrN2/c1-5-2-7(8)6(3-9)4-10-5/h2,4H,3,9H2,1H3
• InChIKey: JIWMNBQFEFAOKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-bromo-6-methylpyridin-3-yl)methanamine
• IUPAC Traditional name: (4-bromo-6-methylpyridin-3-yl)methanamine
• Synonyms: (4-bromo-6-methylpyridin-3-yl)methanamine

Database IDs

• CAS Number: 1060810-22-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1232412
• LogD (pH = 7.4): -0.80660975
• Log P: 0.78146464
• Molar Refractivity: 44.5888 cm^3
• Polarizability: 17.3476 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%