2-fluoropyridine-3-carboxamide

• ChemBase ID: 67251
• Molecular Formular: C6H5FN2O
• Molecular Mass: 140.1151032
• Monoisotopic Mass: 140.03859101
• SMILES: C(=O)(c1cccnc1F)N
• Canonical SMILES: NC(=O)c1cccnc1F
• InChI: InChI=1S/C6H5FN2O/c7-5-4(6(8)10)2-1-3-9-5/h1-3H,(H2,8,10)
• InChIKey: GRCLBOGXTPXNPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoropyridine-3-carboxamide
• IUPAC Traditional name: 2-fluoropyridine-3-carboxamide
• Synonyms: 2-Fluoronicotinamide

Database IDs

• CAS Number: 364-22-7
• MDL Number: MFCD11100137
• PubChem SID: 162032987
• PubChem CID: 252367

CALCULATED PROPERTIES

• Acid pKa: 11.779393
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.14284647
• LogD (pH = 7.4): 0.14286247
• Log P: 0.14284629
• Molar Refractivity: 34.2106 cm^3
• Polarizability: 12.059506 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%