5-(3,4-dichlorophenyl)pyrimidine

• ChemBase ID: 718863
• Molecular Formular: C10H6Cl2N2
• Molecular Mass: 225.07404
• Monoisotopic Mass: 223.99080356
• SMILES: c1(cc(c(cc1)Cl)Cl)c1cncnc1
• Canonical SMILES: Clc1ccc(cc1Cl)c1cncnc1
• InChI: InChI=1S/C10H6Cl2N2/c11-9-2-1-7(3-10(9)12)8-4-13-6-14-5-8/h1-6H
• InChIKey: KIIBSRQAIUVYRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3,4-dichlorophenyl)pyrimidine
• IUPAC Traditional name: 5-(3,4-dichlorophenyl)pyrimidine
• Synonyms: 5-(3,4-dichlorophenyl)pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9050264
• LogD (pH = 7.4): 2.9050498
• Log P: 2.9050503
• Molar Refractivity: 57.4681 cm^3
• Polarizability: 23.246134 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: 2.63
• LOG S: -3.09
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1