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

• ChemBase ID: 298131
• Molecular Formular: C8H10BrNO
• Molecular Mass: 216.0751
• Monoisotopic Mass: 214.99457595
• SMILES: Brc1c(nccc1)OC(C)C
• Canonical SMILES: CC(Oc1ncccc1Br)C
• InChI: InChI=1S/C8H10BrNO/c1-6(2)11-8-7(9)4-3-5-10-8/h3-6H,1-2H3
• InChIKey: UHQQSDAMSSVOQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-2-(propan-2-yloxy)pyridine
• IUPAC Traditional name: 3-bromo-2-isopropoxypyridine
• Synonyms: 3-Bromo-2-isopropoxypyridine; 3-溴-2-异丙氧基吡啶

Database IDs

• CAS Number: 717843-55-5
• MDL Number: MFCD09835265
• PubChem SID: 180683662
• PubChem CID: 21952727

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7344687
• LogD (pH = 7.4): 2.734495
• Log P: 2.7344952
• Molar Refractivity: 47.468 cm^3
• Polarizability: 18.471727 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+%