[1-(6-bromopyridin-2-yl)cyclopropyl]methanamine

• ChemBase ID: 814869
• Molecular Formular: C9H11BrN2
• Molecular Mass: 227.10104
• Monoisotopic Mass: 226.01056036
• SMILES: C(N)C1(CC1)c1nc(ccc1)Br
• Canonical SMILES: NCC1(CC1)c1cccc(n1)Br
• InChI: InChI=1S/C9H11BrN2/c10-8-3-1-2-7(12-8)9(6-11)4-5-9/h1-3H,4-6,11H2
• InChIKey: JDNWHVHTUQZMRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(6-bromopyridin-2-yl)cyclopropyl]methanamine
• IUPAC Traditional name: [1-(6-bromopyridin-2-yl)cyclopropyl]methanamine
• Synonyms: (1-(6-bromopyridin-2-yl)cyclopropyl)methanamine

Database IDs

• CAS Number: 1060811-48-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1524945
• LogD (pH = 7.4): -0.048232567
• Log P: 1.8093758
• Molar Refractivity: 52.29 cm^3
• Polarizability: 20.334982 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%