3-[(2,3-Difluorophenyl)methyl]pyridine-4-carboxylic acid

Base Information

• Chemical Name: 3-[(2,3-Difluorophenyl)methyl]pyridine-4-carboxylic acid
• CAS No.: 211679-03-7
• Molecular Formula: C13H9F2NO2
• Molecular Weight: 249.21
• DSSTox Substance ID: DTXSID50695723
• Wikidata: Q82624990
• Mol file: 211679-03-7.mol

Synonyms:211679-03-7;3-[(2,3-difluorophenyl)methyl]pyridine-4-carboxylic acid;DTXSID50695723;FT-0614795;3-[(2,3-DIFLUOROPHENYL)METHYL]-4-PYRIDINECARBOXYLIC ACID

Chemical Property of 3-[(2,3-Difluorophenyl)methyl]pyridine-4-carboxylic acid

Chemical Property:

• Boiling Point: 450.4±40.0 °C(Predicted)
• PKA: 1.71±0.36(Predicted)
• PSA: 50.19000
• Density: 1.361±0.06 g/cm3(Predicted)
• LogP: 2.64880
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 249.06013485
• Heavy Atom Count: 18
• Complexity: 301

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)F)F)CC2=C(C=CN=C2)C(=O)O