2-fluoropyridine-4-carboxamide

• ChemBase ID: 265844
• Molecular Formular: C6H5FN2O
• Molecular Mass: 140.1151032
• Monoisotopic Mass: 140.03859101
• SMILES: C(=O)(c1cc(ncc1)F)N
• Canonical SMILES: Fc1nccc(c1)C(=O)N
• InChI: InChI=1S/C6H5FN2O/c7-5-3-4(6(8)10)1-2-9-5/h1-3H,(H2,8,10)
• InChIKey: MDEUOQQYVMPZDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoropyridine-4-carboxamide
• IUPAC Traditional name: 2-fluoropyridine-4-carboxamide
• Synonyms: 2-fluoropyridine-4-carboxamide

Database IDs

• MDL Number: MFCD14618467
• PubChem SID: 164321754
• PubChem CID: 345365

CALCULATED PROPERTIES

• Acid pKa: 13.0790825
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.14284626
• LogD (pH = 7.4): 0.1428471
• Log P: 0.14284629
• Molar Refractivity: 34.2106 cm^3
• Polarizability: 12.057679 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 175 - 177°C
• Hydrophobicity(logP): 0.0050

Product Information

• Purity: 95%