4-bromo-N-cyclohexylpyridin-2-amine

• ChemBase ID: 290301
• Molecular Formular: C11H15BrN2
• Molecular Mass: 255.1542
• Monoisotopic Mass: 254.04186049
• SMILES: Brc1cc(NC2CCCCC2)ncc1
• Canonical SMILES: Brc1ccnc(c1)NC1CCCCC1
• InChI: InChI=1S/C11H15BrN2/c12-9-6-7-13-11(8-9)14-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,13,14)
• InChIKey: HHMGKFCQUAJFSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-N-cyclohexylpyridin-2-amine
• IUPAC Traditional name: 4-bromo-N-cyclohexylpyridin-2-amine
• Synonyms: 4-Bromo-N-cyclohexylpyridin-2-amine

Database IDs

• CAS Number: 1262293-75-3
• PubChem SID: 180675832
• PubChem CID: 53217452

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1165183
• LogD (pH = 7.4): 3.3859012
• Log P: 3.3908322
• Molar Refractivity: 63.0454 cm^3
• Polarizability: 23.636906 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%