2-(5-methylpyridin-2-yl)aniline

• ChemBase ID: 811040
• Molecular Formular: C12H12N2
• Molecular Mass: 184.23708
• Monoisotopic Mass: 184.10004839
• SMILES: Nc1c(cccc1)c1ncc(cc1)C
• Canonical SMILES: Cc1ccc(nc1)c1ccccc1N
• InChI: InChI=1S/C12H12N2/c1-9-6-7-12(14-8-9)10-4-2-3-5-11(10)13/h2-8H,13H2,1H3
• InChIKey: SBUWJWPXEXOFCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 885277-33-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4295266
• LogD (pH = 7.4): 2.472566
• Log P: 2.4731445
• Molar Refractivity: 58.4069 cm^3
• Polarizability: 23.388903 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%