2-fluoro-6-(pyridin-3-yl)benzamide

• ChemBase ID: 403504
• Molecular Formular: C12H9FN2O
• Molecular Mass: 216.2110632
• Monoisotopic Mass: 216.06989114
• SMILES: c1(C(=O)N)c(c2cnccc2)cccc1F
• Canonical SMILES: NC(=O)c1c(F)cccc1c1cccnc1
• InChI: InChI=1S/C12H9FN2O/c13-10-5-1-4-9(11(10)12(14)16)8-3-2-6-15-7-8/h1-7H,(H2,14,16)
• InChIKey: KZXOVNZFPCSZAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-6-(pyridin-3-yl)benzamide
• IUPAC Traditional name: 2-fluoro-6-(pyridin-3-yl)benzamide
• Synonyms: 2-fluoro-6-pyridin-3-ylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.190929
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3497584
• LogD (pH = 7.4): 1.3955178
• Log P: 1.3961409
• Molar Refractivity: 58.3321 cm^3
• Polarizability: 22.861158 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 0.55
• LOG S: -1.24
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 2