3,5-difluoropyridine-2-carboxamide

• ChemBase ID: 93795
• Molecular Formular: C6H4F2N2O
• Molecular Mass: 158.1055664
• Monoisotopic Mass: 158.0291692
• SMILES: n1c(c(cc(c1)F)F)C(=O)N
• Canonical SMILES: Fc1cnc(c(c1)F)C(=O)N
• InChI: InChI=1S/C6H4F2N2O/c7-3-1-4(8)5(6(9)11)10-2-3/h1-2H,(H2,9,11)
• InChIKey: LWKSZYXOBLMONP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-difluoropyridine-2-carboxamide
• IUPAC Traditional name: 3,5-difluoropyridine-2-carboxamide
• Synonyms: 3,5-difluoropyridine-2-carboxamide; 3,5-Difluoropicolinamide; 3,5-Difluoropyridine-2-carboxamide; 3,5-二氟吡啶-2-甲酰胺

Database IDs

• CAS Number: 745784-03-6
• MDL Number: MFCD05664123
• PubChem SID: 162080461
• PubChem CID: 2783261

CALCULATED PROPERTIES

• Acid pKa: 12.427668
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.27746794
• LogD (pH = 7.4): 0.2774715
• Log P: 0.27746788
• Molar Refractivity: 33.0403 cm^3
• Polarizability: 11.939395 Å^3
• Polar Surface Area: 55.98 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: 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: 97%