5-bromo-2-propoxypyridin-3-amine

• ChemBase ID: 807273
• Molecular Formular: C8H11BrN2O
• Molecular Mass: 231.08974
• Monoisotopic Mass: 230.00547498
• SMILES: Nc1c(ncc(c1)Br)OCCC
• Canonical SMILES: CCCOc1ncc(cc1N)Br
• InChI: InChI=1S/C8H11BrN2O/c1-2-3-12-8-7(10)4-6(9)5-11-8/h4-5H,2-3,10H2,1H3
• InChIKey: RFEZOGQTWGDJTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-propoxypyridin-3-amine
• IUPAC Traditional name: 5-bromo-2-propoxypyridin-3-amine
• Synonyms: 5-BROMO-2-PROPOXY-PYRIDIN-3-YLAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0114741
• LogD (pH = 7.4): 2.011516
• Log P: 2.0115166
• Molar Refractivity: 52.2736 cm^3
• Polarizability: 19.640125 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%