6-(thiophen-2-yl)pyridine-3-carboxamide

• ChemBase ID: 772780
• Molecular Formular: C10H8N2OS
• Molecular Mass: 204.24832
• Monoisotopic Mass: 204.03573389
• SMILES: c1(C(=O)N)cnc(c2sccc2)cc1
• Canonical SMILES: NC(=O)c1ccc(nc1)c1cccs1
• InChI: InChI=1S/C10H8N2OS/c11-10(13)7-3-4-8(12-6-7)9-2-1-5-14-9/h1-6H,(H2,11,13)
• InChIKey: SLQNXQSMGQASIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(thiophen-2-yl)pyridine-3-carboxamide
• IUPAC Traditional name: 6-(thiophen-2-yl)pyridine-3-carboxamide
• Synonyms: 6-(2-thienyl)nicotinamide

CALCULATED PROPERTIES

JChem

• Lipinski's Rule of Five: true
• Acid pKa: 13.332017
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4163228
• LogD (pH = 7.4): 1.4164364
• Log P: 1.4164374
• Molar Refractivity: 54.6336 cm^3
• Polarizability: 21.874163 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 2

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.79
• LOG S: -2.22
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 2