1-(6-bromopyridin-3-yl)cyclopropan-1-amine

• ChemBase ID: 814862
• Molecular Formular: C8H9BrN2
• Molecular Mass: 213.07446
• Monoisotopic Mass: 211.9949103
• SMILES: C1(CC1)(N)c1cnc(cc1)Br
• Canonical SMILES: Brc1ccc(cn1)C1(N)CC1
• InChI: InChI=1S/C8H9BrN2/c9-7-2-1-6(5-11-7)8(10)3-4-8/h1-2,5H,3-4,10H2
• InChIKey: YNTSQURMXCZMJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-bromopyridin-3-yl)cyclopropan-1-amine
• IUPAC Traditional name: 1-(6-bromopyridin-3-yl)cyclopropan-1-amine
• Synonyms: 1-(6-bromopyridin-3-yl)cyclopropanamine

Database IDs

• CAS Number: 1060811-36-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7061945
• LogD (pH = 7.4): -0.551235
• Log P: 1.2449497
• Molar Refractivity: 47.9403 cm^3
• Polarizability: 18.585087 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%