6-fluoro-N,N-dimethylpyridine-3-carboxamide

• ChemBase ID: 247177
• Molecular Formular: C8H9FN2O
• Molecular Mass: 168.1682632
• Monoisotopic Mass: 168.06989114
• SMILES: C(=O)(c1cnc(cc1)F)N(C)C
• Canonical SMILES: Fc1ccc(cn1)C(=O)N(C)C
• InChI: InChI=1S/C8H9FN2O/c1-11(2)8(12)6-3-4-7(9)10-5-6/h3-5H,1-2H3
• InChIKey: BPUDTWHLOMYSKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-N,N-dimethylpyridine-3-carboxamide
• IUPAC Traditional name: 6-fluoro-N,N-dimethylpyridine-3-carboxamide
• Synonyms: 6-fluoro-N,N-dimethylpyridine-3-carboxamide

Database IDs

• MDL Number: MFCD19623921
• PubChem SID: 164303087
• PubChem CID: 63973128

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.59019834
• LogD (pH = 7.4): 0.5901984
• Log P: 0.5901984
• Molar Refractivity: 44.004 cm^3
• Polarizability: 15.685037 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 44 - 46°C
• Hydrophobicity(logP): -0.314

Product Information

• Purity: 95%