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

• ChemBase ID: 801761
• Molecular Formular: C6H6BrClN2
• Molecular Mass: 221.48224
• Monoisotopic Mass: 219.94028788
• SMILES: NCc1nc(ccc1Br)Cl
• Canonical SMILES: NCc1nc(Cl)ccc1Br
• InChI: InChI=1S/C6H6BrClN2/c7-4-1-2-6(8)10-5(4)3-9/h1-2H,3,9H2
• InChIKey: YTHRNMAFBYGWGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-bromo-6-chloropyridin-2-yl)methanamine
• IUPAC Traditional name: (3-bromo-6-chloropyridin-2-yl)methanamine
• Synonyms: (3-BROMO-6-CHLOROPYRIDIN-2-YL)METHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0492359
• LogD (pH = 7.4): 0.6014857
• Log P: 1.5557882
• Molar Refractivity: 45.3412 cm^3
• Polarizability: 17.645214 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%