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

• ChemBase ID: 813701
• Molecular Formular: C7H9BrN2O
• Molecular Mass: 217.06316
• Monoisotopic Mass: 215.98982492
• SMILES: C(N)c1nc(cc(c1)Br)OC
• Canonical SMILES: NCc1cc(Br)cc(n1)OC
• InChI: InChI=1S/C7H9BrN2O/c1-11-7-3-5(8)2-6(4-9)10-7/h2-3H,4,9H2,1H3
• InChIKey: SKIWLABJNVYDLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-bromo-6-methoxypyridin-2-yl)methanamine
• IUPAC Traditional name: (4-bromo-6-methoxypyridin-2-yl)methanamine
• Synonyms: (4-bromo-6-methoxypyridin-2-yl)methanamine

Database IDs

• CAS Number: 1060810-44-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5189154
• LogD (pH = 7.4): 0.08868838
• Log P: 1.1683526
• Molar Refractivity: 46.2518 cm^3
• Polarizability: 18.172445 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%