3-bromo-2-(cyclopentyloxy)pyridine

• ChemBase ID: 298143
• Molecular Formular: C10H12BrNO
• Molecular Mass: 242.11238
• Monoisotopic Mass: 241.01022601
• SMILES: c1cc(c(nc1)OC1CCCC1)Br
• Canonical SMILES: Brc1cccnc1OC1CCCC1
• InChI: InChI=1S/C10H12BrNO/c11-9-6-3-7-12-10(9)13-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2
• InChIKey: QZRZUVKOBQJBDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-2-(cyclopentyloxy)pyridine
• IUPAC Traditional name: 3-bromo-2-(cyclopentyloxy)pyridine
• Synonyms: 3-Bromo-2-cyclopentyloxypyridine; 3-溴-2-环戊氧基吡啶

Database IDs

• CAS Number: 422557-08-2
• MDL Number: MFCD14651738
• PubChem SID: 180683674
• PubChem CID: 54758808

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.315788
• LogD (pH = 7.4): 3.3158138
• Log P: 3.3158143
• Molar Refractivity: 54.7138 cm^3
• Polarizability: 21.400682 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97+%