2-(2,3-dichlorophenyl)-4-methylpyrimidine

• ChemBase ID: 864588
• Molecular Formular: C11H8Cl2N2
• Molecular Mass: 239.10062
• Monoisotopic Mass: 238.00645363
• SMILES: c1(c2nc(ccn2)C)c(c(Cl)ccc1)Cl
• Canonical SMILES: Cc1ccnc(n1)c1cccc(c1Cl)Cl
• InChI: InChI=1S/C11H8Cl2N2/c1-7-5-6-14-11(15-7)8-3-2-4-9(12)10(8)13/h2-6H,1H3
• InChIKey: JXUUNSWVDRIJHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dichlorophenyl)-4-methylpyrimidine
• IUPAC Traditional name: 2-(2,3-dichlorophenyl)-4-methylpyrimidine
• Synonyms: 2-(2,3-dichlorophenyl)-4-methylpyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7270386
• LogD (pH = 7.4): 3.7271647
• Log P: 3.7271664
• Molar Refractivity: 72.3345 cm^3
• Polarizability: 24.359404 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: 3.62
• LOG S: -4.04
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1