5-bromo-3-chloro-2-methoxypyridine

• ChemBase ID: 68962
• Molecular Formular: C6H5BrClNO
• Molecular Mass: 222.467
• Monoisotopic Mass: 220.92430347
• SMILES: c1(c(cc(cn1)Br)Cl)OC
• Canonical SMILES: COc1ncc(cc1Cl)Br
• InChI: InChI=1S/C6H5BrClNO/c1-10-6-5(8)2-4(7)3-9-6/h2-3H,1H3
• InChIKey: XCHXNAQRMMXBGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-3-chloro-2-methoxypyridine
• IUPAC Traditional name: 5-bromo-3-chloro-2-methoxypyridine
• Synonyms: 5-Bromo-3-chloro-2-methoxypyridine; 5-Bromo-3-chloro-2-methoxypyridine; 5-溴-3-氯-2-甲氧基吡啶

Database IDs

• CAS Number: 848366-28-9
• MDL Number: MFCD04972382
• PubChem SID: 162034692
• PubChem CID: 40427004

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5651565
• LogD (pH = 7.4): 2.565157
• Log P: 2.565157
• Molar Refractivity: 43.1054 cm^3
• Polarizability: 16.880527 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 95+%; 96%; 98%