6-fluoropyridine-2-carboxamide

• ChemBase ID: 99839
• Molecular Formular: C6H5FN2O
• Molecular Mass: 140.1151032
• Monoisotopic Mass: 140.03859101
• SMILES: n1c(cccc1F)C(=O)N
• Canonical SMILES: Fc1cccc(n1)C(=O)N
• InChI: InChI=1S/C6H5FN2O/c7-5-3-1-2-4(9-5)6(8)10/h1-3H,(H2,8,10)
• InChIKey: IKRHXEUDAFUUKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoropyridine-2-carboxamide
• IUPAC Traditional name: 6-fluoropyridine-2-carboxamide
• Synonyms: 6-Fluoropyridine-2-carboxamide; 6-Fluoropyridine-2-carboxamide; 6-氟吡啶-2-甲酰胺

Database IDs

• CAS Number: 369-03-9
• MDL Number: MFCD04038712
• PubChem SID: 162086086
• PubChem CID: 2769395

CALCULATED PROPERTIES

• Acid pKa: 13.663276
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5286966
• LogD (pH = 7.4): 0.52869684
• Log P: 0.5286966
• Molar Refractivity: 33.8386 cm^3
• Polarizability: 12.062767 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 134-137°C

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: 98%