4-bromo-N-cyclopentylpyridin-2-amine

• ChemBase ID: 290302
• Molecular Formular: C10H13BrN2
• Molecular Mass: 241.12762
• Monoisotopic Mass: 240.02621043
• SMILES: Brc1cc(NC2CCCC2)ncc1
• Canonical SMILES: Brc1ccnc(c1)NC1CCCC1
• InChI: InChI=1S/C10H13BrN2/c11-8-5-6-12-10(7-8)13-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,12,13)
• InChIKey: SJMMGOLQGWCCSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1209458-99-0
• PubChem SID: 180675833
• PubChem CID: 53217437

CALCULATED PROPERTIES

• Log P: 2.9462636
• Molar Refractivity: 58.4444 cm^3
• Polarizability: 21.814808 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6719496
• LogD (pH = 7.4): 2.9413326

PROPERTIES

Product Information

• Purity: 95+%