2-(5-chlorothiophen-2-yl)pyridine-4-carboxamide

• ChemBase ID: 492150
• Molecular Formular: C10H7ClN2OS
• Molecular Mass: 238.69338
• Monoisotopic Mass: 237.99676153
• SMILES: c1(sc(cc1)Cl)c1cc(C(=O)N)ccn1
• Canonical SMILES: Clc1ccc(s1)c1nccc(c1)C(=O)N
• InChI: InChI=1S/C10H7ClN2OS/c11-9-2-1-8(15-9)7-5-6(10(12)14)3-4-13-7/h1-5H,(H2,12,14)
• InChIKey: YTEVOWVESTWEKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-chlorothiophen-2-yl)pyridine-4-carboxamide
• IUPAC Traditional name: 2-(5-chlorothiophen-2-yl)pyridine-4-carboxamide
• Synonyms: 2-(5-chloro-2-thienyl)isonicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.886889
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.186408
• LogD (pH = 7.4): 2.1864772
• Log P: 2.1864781
• Molar Refractivity: 58.5983 cm^3
• Polarizability: 23.816063 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: 2.52
• LOG S: -3.1
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 2