6-bromo-N-cyclopentylpyridin-2-amine

• ChemBase ID: 804100
• Molecular Formular: C10H13BrN2
• Molecular Mass: 241.12762
• Monoisotopic Mass: 240.02621043
• SMILES: n1c(cccc1Br)NC1CCCC1
• Canonical SMILES: Brc1cccc(n1)NC1CCCC1
• InChI: InChI=1S/C10H13BrN2/c11-9-6-3-7-10(13-9)12-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H,12,13)
• InChIKey: RYAZRECFYWSHSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-N-cyclopentylpyridin-2-amine
• IUPAC Traditional name: 6-bromo-N-cyclopentylpyridin-2-amine
• Synonyms: 6-BROMO-N-CYCLOPENTYLPYRIDIN-2-AMINE

Database IDs

• CAS Number: 959237-31-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1504514
• LogD (pH = 7.4): 3.1517687
• Log P: 3.1517856
• Molar Refractivity: 59.2866 cm^3
• Polarizability: 21.869238 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%