2-fluoro-3-iodopyridine

• ChemBase ID: 64175
• Molecular Formular: C5H3FIN
• Molecular Mass: 222.9868932
• Monoisotopic Mass: 222.92942532
• SMILES: c1(ncccc1I)F
• Canonical SMILES: Ic1cccnc1F
• InChI: InChI=1S/C5H3FIN/c6-5-4(7)2-1-3-8-5/h1-3H
• InChIKey: WCDCAXVNBOLWNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-3-iodopyridine
• IUPAC Traditional name: 2-fluoro-3-iodopyridine
• Synonyms: 2-Fluoro-3-iodopyridine; 2-Fluoro-3-iodopyridine; 2-氟-3-碘吡啶

Database IDs

• CAS Number: 113975-22-7
• MDL Number: MFCD03095287
• PubChem SID: 162029914
• PubChem CID: 7009501

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2211504
• LogD (pH = 7.4): 2.2211504
• Log P: 2.2211504
• Molar Refractivity: 38.4947 cm^3
• Polarizability: 14.583869 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 42 - 44°C
• Hydrophobicity(logP): 2.024

Safety Information

• Storage Warning: IRRITANT; Irritant; Light Sensitive
• 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-P501A

Product Information

• Purity: 95%; 97%; 98%