5-bromo-3-chloro-N-cyclohexylpyridin-2-amine

• ChemBase ID: 290242
• Molecular Formular: C11H14BrClN2
• Molecular Mass: 289.59926
• Monoisotopic Mass: 288.00288814
• SMILES: Clc1cc(Br)cnc1NC1CCCCC1
• Canonical SMILES: Brc1cnc(c(c1)Cl)NC1CCCCC1
• InChI: InChI=1S/C11H14BrClN2/c12-8-6-10(13)11(14-7-8)15-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,14,15)
• InChIKey: AZQYVKICKAXHGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-3-chloro-N-cyclohexylpyridin-2-amine
• IUPAC Traditional name: 5-bromo-3-chloro-N-cyclohexylpyridin-2-amine
• Synonyms: 5-Bromo-3-chloro-N-cyclohexylpyridin-2-amine

Database IDs

• CAS Number: 1280786-98-2
• PubChem SID: 180675773
• PubChem CID: 53217364

CALCULATED PROPERTIES

• Acid pKa: 18.422718
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.9932714
• LogD (pH = 7.4): 3.9948566
• Log P: 3.9948769
• Molar Refractivity: 67.8502 cm^3
• Polarizability: 25.611006 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%