5-bromo-2-(cyclopentyloxy)pyridine

• ChemBase ID: 242501
• Molecular Formular: C10H12BrNO
• Molecular Mass: 242.11238
• Monoisotopic Mass: 241.01022601
• SMILES: n1c(OC2CCCC2)ccc(c1)Br
• Canonical SMILES: Brc1ccc(nc1)OC1CCCC1
• InChI: InChI=1S/C10H12BrNO/c11-8-5-6-10(12-7-8)13-9-3-1-2-4-9/h5-7,9H,1-4H2
• InChIKey: ZCTNUTZJUDVPOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-(cyclopentyloxy)pyridine
• IUPAC Traditional name: 5-bromo-2-(cyclopentyloxy)pyridine
• Synonyms: 5-bromo-2-(cyclopentyloxy)pyridine

Database IDs

• MDL Number: MFCD13190753
• PubChem SID: 164298411
• PubChem CID: 21914353

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3157976
• LogD (pH = 7.4): 3.315814
• Log P: 3.3158143
• Molar Refractivity: 54.7138 cm^3
• Polarizability: 21.39336 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.841

Product Information

• Purity: 95%