3-[2-(3-chlorophenyl)-1H-imidazol-1-yl]pyridin-2-ol

• ChemBase ID: 708042
• Molecular Formular: C14H10ClN3O
• Molecular Mass: 271.7017
• Monoisotopic Mass: 271.05123964
• SMILES: n1(c(ncc1)c1cc(Cl)ccc1)c1c(nccc1)O
• Canonical SMILES: Clc1cccc(c1)c1nccn1c1cccnc1O
• InChI: InChI=1S/C14H10ClN3O/c15-11-4-1-3-10(9-11)13-16-7-8-18(13)12-5-2-6-17-14(12)19/h1-9H,(H,17,19)
• InChIKey: ZCFRDZISZPHKMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(3-chlorophenyl)-1H-imidazol-1-yl]pyridin-2-ol
• IUPAC Traditional name: 3-[2-(3-chlorophenyl)imidazol-1-yl]pyridin-2-ol
• Synonyms: 3-[2-(3-chlorophenyl)-1H-imidazol-1-yl]pyridin-2-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.050194
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.046121
• LogD (pH = 7.4): 3.4292858
• Log P: 3.438445
• Molar Refractivity: 94.0503 cm^3
• Polarizability: 29.258747 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.36
• LOG S: -3.2
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2