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

• ChemBase ID: 814863
• Molecular Formular: C8H9BrN2
• Molecular Mass: 213.07446
• Monoisotopic Mass: 211.9949103
• SMILES: C1(CC1)(N)c1cc(ncc1)Br
• Canonical SMILES: Brc1nccc(c1)C1(N)CC1
• InChI: InChI=1S/C8H9BrN2/c9-7-5-6(1-4-11-7)8(10)2-3-8/h1,4-5H,2-3,10H2
• InChIKey: OJKMQADEBBGZGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-bromopyridin-4-yl)cyclopropan-1-amine
• IUPAC Traditional name: 1-(2-bromopyridin-4-yl)cyclopropan-1-amine
• Synonyms: 1-(2-bromopyridin-4-yl)cyclopropanamine

Database IDs

• CAS Number: 1060811-37-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7158717
• LogD (pH = 7.4): -0.60631675
• Log P: 1.2449497
• Molar Refractivity: 47.9403 cm^3
• Polarizability: 18.584827 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%