5-chloro-3-fluoro-2-methoxypyridine

• ChemBase ID: 297259
• Molecular Formular: C6H5ClFNO
• Molecular Mass: 161.5614032
• Monoisotopic Mass: 161.00436969
• SMILES: COc1c(cc(cn1)Cl)F
• Canonical SMILES: COc1ncc(cc1F)Cl
• InChI: InChI=1S/C6H5ClFNO/c1-10-6-5(8)2-4(7)3-9-6/h2-3H,1H3
• InChIKey: URXHTRZQQSCUAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-3-fluoro-2-methoxypyridine
• IUPAC Traditional name: 5-chloro-3-fluoro-2-methoxypyridine
• Synonyms: 5-Chloro-3-fluoro-2-methoxypyridine; 5-CHLORO-3-FLUORO-2-METHOXYPYRIDINE; 5-氯-3-氟-2-甲氧基吡啶

Database IDs

• CAS Number: 886374-01-2
• MDL Number: MFCD07375056
• PubChem SID: 180682790
• PubChem CID: 46738734

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9391062
• LogD (pH = 7.4): 1.9391062
• Log P: 1.9391062
• Molar Refractivity: 35.699 cm^3
• Polarizability: 13.6548395 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 29-33°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: 98%