2-(6-methylpyridin-2-yl)aniline

• ChemBase ID: 811046
• Molecular Formular: C12H12N2
• Molecular Mass: 184.23708
• Monoisotopic Mass: 184.10004839
• SMILES: Nc1c(cccc1)c1nc(ccc1)C
• Canonical SMILES: Cc1cccc(n1)c1ccccc1N
• InChI: InChI=1S/C12H12N2/c1-9-5-4-8-12(14-9)10-6-2-3-7-11(10)13/h2-8H,13H2,1H3
• InChIKey: DIAYGFSZDWSEIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methylpyridin-2-yl)aniline
• IUPAC Traditional name: 2-(6-methylpyridin-2-yl)aniline
• Synonyms: 2-(6-METHYL-PYRIDIN-2-YL)-PHENYLAMINE

Database IDs

• CAS Number: 305811-31-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.008169
• LogD (pH = 7.4): 2.0899427
• Log P: 2.0910933
• Molar Refractivity: 57.9572 cm^3
• Polarizability: 23.390232 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%