2-(3,5-dichlorophenyl)pyrimidine

• ChemBase ID: 783927
• Molecular Formular: C10H6Cl2N2
• Molecular Mass: 225.07404
• Monoisotopic Mass: 223.99080356
• SMILES: c1(c2cc(cc(c2)Cl)Cl)ncccn1
• Canonical SMILES: Clc1cc(Cl)cc(c1)c1ncccn1
• InChI: InChI=1S/C10H6Cl2N2/c11-8-4-7(5-9(12)6-8)10-13-2-1-3-14-10/h1-6H
• InChIKey: OSXAQLXGRVCLGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,5-dichlorophenyl)pyrimidine
• IUPAC Traditional name: 2-(3,5-dichlorophenyl)pyrimidine
• Synonyms: 2-(3,5-dichlorophenyl)pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5263803
• LogD (pH = 7.4): 3.5264378
• Log P: 3.5264385
• Molar Refractivity: 67.743 cm^3
• Polarizability: 22.556599 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.92
• LOG S: -4.19
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1