3-(6-bromopyridin-2-yl)propan-1-amine

• ChemBase ID: 804361
• Molecular Formular: C8H11BrN2
• Molecular Mass: 215.09034
• Monoisotopic Mass: 214.01056036
• SMILES: NCCCc1nc(ccc1)Br
• Canonical SMILES: NCCCc1cccc(n1)Br
• InChI: InChI=1S/C8H11BrN2/c9-8-5-1-3-7(11-8)4-2-6-10/h1,3,5H,2,4,6,10H2
• InChIKey: ORMHWEPIOPMTFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(6-bromopyridin-2-yl)propan-1-amine
• IUPAC Traditional name: 3-(6-bromopyridin-2-yl)propan-1-amine
• Synonyms: 3-(6-BROMO-PYRIDIN-2-YL)-PROPYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5571804
• LogD (pH = 7.4): -1.0335757
• Log P: 1.4627624
• Molar Refractivity: 49.7717 cm^3
• Polarizability: 19.22114 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%