3-(2-chloropyridin-3-yl)-2-fluoropyridine

• ChemBase ID: 296348
• Molecular Formular: C10H6ClFN2
• Molecular Mass: 208.6194432
• Monoisotopic Mass: 208.0203541
• SMILES: c1cc(c(nc1)F)c1cccnc1Cl
• Canonical SMILES: Clc1ncccc1c1cccnc1F
• InChI: InChI=1S/C10H6ClFN2/c11-9-7(3-1-5-13-9)8-4-2-6-14-10(8)12/h1-6H
• InChIKey: XJKOECSGYQHCPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-chloropyridin-3-yl)-2-fluoropyridine
• IUPAC Traditional name: 3-(2-chloropyridin-3-yl)-2-fluoropyridine
• Synonyms: 2-Chloro-2'-fluoro-3,3'-bipyridine; 2-氯-2'-氟-3,3'-二吡啶

Database IDs

• MDL Number: MFCD09037427
• PubChem SID: 180681879
• PubChem CID: 42552970

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5459745
• LogD (pH = 7.4): 2.5459807
• Log P: 2.5459807
• Molar Refractivity: 53.9776 cm^3
• Polarizability: 21.07964 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 95%