1-(5-bromopyridin-3-yl)cyclopropan-1-amine

• ChemBase ID: 801276
• Molecular Formular: C8H9BrN2
• Molecular Mass: 213.07446
• Monoisotopic Mass: 211.9949103
• SMILES: C1(CC1)(N)c1cncc(c1)Br
• Canonical SMILES: NC1(CC1)c1cncc(c1)Br
• InChI: InChI=1S/C8H9BrN2/c9-7-3-6(4-11-5-7)8(10)1-2-8/h3-5H,1-2,10H2
• InChIKey: RUSNYPWBTXEEPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-bromopyridin-3-yl)cyclopropan-1-amine
• IUPAC Traditional name: 1-(5-bromopyridin-3-yl)cyclopropan-1-amine
• Synonyms: 1-(5-BROMOPYRIDIN-3-YL)CYCLOPROPANAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9035676
• LogD (pH = 7.4): -0.7144017
• Log P: 1.0394278
• Molar Refractivity: 47.0981 cm^3
• Polarizability: 18.535507 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%