6-(2,4-dichlorophenyl)pyridin-2-amine

• ChemBase ID: 491677
• Molecular Formular: C11H8Cl2N2
• Molecular Mass: 239.10062
• Monoisotopic Mass: 238.00645363
• SMILES: c1(c2nc(N)ccc2)c(cc(cc1)Cl)Cl
• Canonical SMILES: Clc1ccc(c(c1)Cl)c1cccc(n1)N
• InChI: InChI=1S/C11H8Cl2N2/c12-7-4-5-8(9(13)6-7)10-2-1-3-11(14)15-10/h1-6H,(H2,14,15)
• InChIKey: LYDIRMKOZVLZMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2,4-dichlorophenyl)pyridin-2-amine
• IUPAC Traditional name: 6-(2,4-dichlorophenyl)pyridin-2-amine
• Synonyms: 6-(2,4-dichlorophenyl)pyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.443583
• LogD (pH = 7.4): 3.756318
• Log P: 3.76227
• Molar Refractivity: 63.2888 cm^3
• Polarizability: 25.258207 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: 3.62
• LOG S: -4.04
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1