2-(5-chloropyridin-2-yl)aniline

• ChemBase ID: 811045
• Molecular Formular: C11H9ClN2
• Molecular Mass: 204.65556
• Monoisotopic Mass: 204.04542598
• SMILES: Nc1c(cccc1)c1ncc(cc1)Cl
• Canonical SMILES: Clc1ccc(nc1)c1ccccc1N
• InChI: InChI=1S/C11H9ClN2/c12-8-5-6-11(14-7-8)9-3-1-2-4-10(9)13/h1-7H,13H2
• InChIKey: OVRZCDASEQJIEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-chloropyridin-2-yl)aniline
• IUPAC Traditional name: 2-(5-chloropyridin-2-yl)aniline
• Synonyms: 2-(5-CHLORO-PYRIDIN-2-YL)-PHENYLAMINE

Database IDs

• CAS Number: 885277-20-3

CALCULATED PROPERTIES

• Log P: 2.563768
• Molar Refractivity: 58.1705 cm^3
• Polarizability: 23.415771 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5619326
• LogD (pH = 7.4): 2.5637445

PROPERTIES

Product Information

• Purity: 98%