2-(2-bromopyridin-4-yl)ethan-1-amine

• ChemBase ID: 806682
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: NCCc1cc(ncc1)Br
• Canonical SMILES: NCCc1ccnc(c1)Br
• InChI: InChI=1S/C7H9BrN2/c8-7-5-6(1-3-9)2-4-10-7/h2,4-5H,1,3,9H2
• InChIKey: NZWKKQOBJFEEAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-bromopyridin-4-yl)ethan-1-amine
• IUPAC Traditional name: 2-(2-bromopyridin-4-yl)ethanamine
• Synonyms: 2-(2-BROMO-PYRIDIN-4-YL)-ETHYLAMINE; 2-BROMO-4-PYRIDINETHYLAMINE

Database IDs

• CAS Number: 858362-82-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8614459
• LogD (pH = 7.4): -1.0986134
• Log P: 1.1442777
• Molar Refractivity: 45.5945 cm^3
• Polarizability: 17.401503 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%