(4-bromo-6-fluoropyridin-2-yl)methanamine

• ChemBase ID: 801684
• Molecular Formular: C6H6BrFN2
• Molecular Mass: 205.0276432
• Monoisotopic Mass: 203.96983842
• SMILES: NCc1nc(cc(c1)Br)F
• Canonical SMILES: NCc1cc(Br)cc(n1)F
• InChI: InChI=1S/C6H6BrFN2/c7-4-1-5(3-9)10-6(8)2-4/h1-2H,3,9H2
• InChIKey: DSOOTMDUOWMUEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-bromo-6-fluoropyridin-2-yl)methanamine
• IUPAC Traditional name: (4-bromo-6-fluoropyridin-2-yl)methanamine
• Synonyms: (4-BROMO-6-FLUOROPYRIDIN-2-YL)METHYLAMINE

Database IDs

• CAS Number: 1260666-01-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3977896
• LogD (pH = 7.4): 0.22295311
• Log P: 1.268199
• Molar Refractivity: 40.7062 cm^3
• Polarizability: 15.463834 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%