2-bromo-3-(methoxymethoxy)pyridine-4-carbaldehyde

• ChemBase ID: 298116
• Molecular Formular: C8H8BrNO3
• Molecular Mass: 246.05802
• Monoisotopic Mass: 244.96875512
• SMILES: COCOc1c(ccnc1Br)C=O
• Canonical SMILES: COCOc1c(C=O)ccnc1Br
• InChI: InChI=1S/C8H8BrNO3/c1-12-5-13-7-6(4-11)2-3-10-8(7)9/h2-4H,5H2,1H3
• InChIKey: KZSZCKIVIREPLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-3-(methoxymethoxy)pyridine-4-carbaldehyde
• IUPAC Traditional name: 2-bromo-3-(methoxymethoxy)pyridine-4-carbaldehyde
• Synonyms: 2-Bromo-3-(methoxymethoxy)pyridine-4-carboxaldehyde; 2-溴-3-(甲氧基甲氧基)吡啶-4-甲醛

Database IDs

• MDL Number: MFCD17015033
• PubChem SID: 180683647
• PubChem CID: 59778936

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3478041
• LogD (pH = 7.4): 1.3478045
• Log P: 1.3478045
• Molar Refractivity: 51.2663 cm^3
• Polarizability: 19.460285 Å^3
• Polar Surface Area: 48.42 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Air Sensitive
• 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: 96%