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

• ChemBase ID: 290938
• Molecular Formular: C11H8Cl2N2
• Molecular Mass: 239.10062
• Monoisotopic Mass: 238.00645363
• SMILES: Nc1ncc(c2ccc(Cl)c(Cl)c2)cc1
• Canonical SMILES: Nc1ccc(cn1)c1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C11H8Cl2N2/c12-9-3-1-7(5-10(9)13)8-2-4-11(14)15-6-8/h1-6H,(H2,14,15)
• InChIKey: PGOCYRNAFOGGFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 926224-90-0
• PubChem SID: 180676469
• PubChem CID: 16768858

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5751069
• LogD (pH = 7.4): 3.3424377
• Log P: 3.3764198
• Molar Refractivity: 63.6608 cm^3
• Polarizability: 25.266191 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%