5-(5-chloro-2-methoxypyridin-4-yl)furan-2-carboxamide

• ChemBase ID: 543433
• Molecular Formular: C11H9ClN2O3
• Molecular Mass: 252.65376
• Monoisotopic Mass: 252.03016984
• SMILES: c1(oc(C(=O)N)cc1)c1c(cnc(c1)OC)Cl
• Canonical SMILES: COc1ncc(c(c1)c1ccc(o1)C(=O)N)Cl
• InChI: InChI=1S/C11H9ClN2O3/c1-16-10-4-6(7(12)5-14-10)8-2-3-9(17-8)11(13)15/h2-5H,1H3,(H2,13,15)
• InChIKey: NYUFJZXESSAUEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(5-chloro-2-methoxypyridin-4-yl)furan-2-carboxamide
• IUPAC Traditional name: 5-(5-chloro-2-methoxypyridin-4-yl)furan-2-carboxamide
• Synonyms: 5-(5-chloro-2-methoxypyridin-4-yl)-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.964449
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2745165
• LogD (pH = 7.4): 1.2745179
• Log P: 1.2745178
• Molar Refractivity: 61.9656 cm^3
• Polarizability: 24.55063 Å^3
• Polar Surface Area: 78.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.68
• LOG S: -2.48
• Polar Surface Area: 78.35 Å^2
• Rotatable Bonds: 3