4-bromo-2-(cyclopentyloxy)pyridine

• ChemBase ID: 797452
• Molecular Formular: C10H12BrNO
• Molecular Mass: 242.11238
• Monoisotopic Mass: 241.01022601
• SMILES: n1c(cc(cc1)Br)OC1CCCC1
• Canonical SMILES: Brc1ccnc(c1)OC1CCCC1
• InChI: InChI=1S/C10H12BrNO/c11-8-5-6-12-10(7-8)13-9-3-1-2-4-9/h5-7,9H,1-4H2
• InChIKey: UIARJYUUUYZAJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2-(cyclopentyloxy)pyridine
• IUPAC Traditional name: 4-bromo-2-(cyclopentyloxy)pyridine
• Synonyms: 4-BroMo-2-(cyclopentyloxy)pyridine

Database IDs

• CAS Number: 1209460-15-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3157353
• LogD (pH = 7.4): 3.315813
• Log P: 3.3158143
• Molar Refractivity: 54.7138 cm^3
• Polarizability: 21.38929 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%