2-bromo-3-(oxan-2-yloxy)pyridine

• ChemBase ID: 303819
• Molecular Formular: C10H12BrNO2
• Molecular Mass: 258.11178
• Monoisotopic Mass: 257.00514063
• SMILES: c1cc(c(nc1)Br)OC1CCCCO1
• Canonical SMILES: Brc1ncccc1OC1CCCCO1
• InChI: InChI=1S/C10H12BrNO2/c11-10-8(4-3-6-12-10)14-9-5-1-2-7-13-9/h3-4,6,9H,1-2,5,7H2
• InChIKey: NXVQJPQYTUJVQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-3-(oxan-2-yloxy)pyridine
• IUPAC Traditional name: 2-bromo-3-(oxan-2-yloxy)pyridine
• Synonyms: 2-Bromo-3-(2-tetrahydropyranyloxy)pyridine; 2-溴-3-(四氢-2-吡喃基氧)吡啶

Database IDs

• CAS Number: 93560-60-2
• MDL Number: MFCD06411700

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.472727
• LogD (pH = 7.4): 2.4727437
• Log P: 2.472744
• Molar Refractivity: 56.8628 cm^3
• Polarizability: 22.208105 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Solid
• Melting Point: 67°C

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%