3-(2,4-dichlorophenyl)pyridin-4-amine

• ChemBase ID: 697709
• Molecular Formular: C11H8Cl2N2
• Molecular Mass: 239.10062
• Monoisotopic Mass: 238.00645363
• SMILES: c1(c2c(N)ccnc2)c(cc(cc1)Cl)Cl
• Canonical SMILES: Clc1ccc(c(c1)Cl)c1cnccc1N
• InChI: InChI=1S/C11H8Cl2N2/c12-7-1-2-8(10(13)5-7)9-6-15-4-3-11(9)14/h1-6H,(H2,14,15)
• InChIKey: KVPHDEUNIFCLDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8001012
• LogD (pH = 7.4): 1.9980047
• Log P: 2.7819622
• Molar Refractivity: 63.3473 cm^3
• Polarizability: 25.246904 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 1
• Log P: 3.42
• LOG S: -3.86
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1