2-chloro-5-(4-phenyl-1H-imidazol-5-yl)pyridine

• ChemBase ID: 683744
• Molecular Formular: C14H10ClN3
• Molecular Mass: 255.7023
• Monoisotopic Mass: 255.05632502
• SMILES: c1(c(nc[nH]1)c1ccccc1)c1cnc(cc1)Cl
• Canonical SMILES: Clc1ccc(cn1)c1[nH]cnc1c1ccccc1
• InChI: InChI=1S/C14H10ClN3/c15-12-7-6-11(8-16-12)14-13(17-9-18-14)10-4-2-1-3-5-10/h1-9H,(H,17,18)
• InChIKey: JGANSWVCYCEJDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-(4-phenyl-1H-imidazol-5-yl)pyridine
• IUPAC Traditional name: 2-chloro-5-(5-phenyl-3H-imidazol-4-yl)pyridine
• Synonyms: 2-chloro-5-(4-phenyl-1H-imidazol-5-yl)pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.499198
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8159237
• LogD (pH = 7.4): 3.0571632
• Log P: 3.0616274
• Molar Refractivity: 72.4999 cm^3
• Polarizability: 30.13131 Å^3
• Polar Surface Area: 41.57 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: 4.13
• LOG S: -4.59
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 2