6-bromo-N-cyclohexylpyridin-2-amine

• ChemBase ID: 804101
• Molecular Formular: C11H15BrN2
• Molecular Mass: 255.1542
• Monoisotopic Mass: 254.04186049
• SMILES: n1c(cccc1NC1CCCCC1)Br
• Canonical SMILES: Brc1cccc(n1)NC1CCCCC1
• InChI: InChI=1S/C11H15BrN2/c12-10-7-4-8-11(14-10)13-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,13,14)
• InChIKey: DIJHZVWZOQTRNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-N-cyclohexylpyridin-2-amine
• IUPAC Traditional name: 6-bromo-N-cyclohexylpyridin-2-amine
• Synonyms: 2-BROMO-6-CYCLOHEXYLAMINOPYRIDINE

Database IDs

• CAS Number: 959237-36-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.59502
• LogD (pH = 7.4): 3.5963373
• Log P: 3.5963542
• Molar Refractivity: 63.8876 cm^3
• Polarizability: 23.69179 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%