3-(2,5-dichlorophenyl)pyridin-4-amine

• ChemBase ID: 796094
• Molecular Formular: C11H8Cl2N2
• Molecular Mass: 239.10062
• Monoisotopic Mass: 238.00645363
• SMILES: n1cc(c(cc1)N)c1c(ccc(c1)Cl)Cl
• Canonical SMILES: Clc1ccc(c(c1)c1cnccc1N)Cl
• InChI: InChI=1S/C11H8Cl2N2/c12-7-1-2-10(13)8(5-7)9-6-15-4-3-11(9)14/h1-6H,(H2,14,15)
• InChIKey: IDJLUACHXHRJEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,5-dichlorophenyl)pyridin-4-amine
• IUPAC Traditional name: 3-(2,5-dichlorophenyl)pyridin-4-amine
• Synonyms: 3-(2,5-Dichlorophenyl)pyridin-4-aMine

Database IDs

• CAS Number: 1125447-88-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.800187
• LogD (pH = 7.4): 2.0017428
• Log P: 2.7819622
• Molar Refractivity: 63.3473 cm^3
• Polarizability: 25.242655 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%