2-(pyridin-2-yl)aniline

• ChemBase ID: 52892
• Molecular Formular: C11H10N2
• Molecular Mass: 170.2105
• Monoisotopic Mass: 170.08439833
• SMILES: c1(ccccc1N)c1ccccn1
• Canonical SMILES: Nc1ccccc1c1ccccn1
• InChI: InChI=1S/C11H10N2/c12-10-6-2-1-5-9(10)11-7-3-4-8-13-11/h1-8H,12H2
• InChIKey: VPZCNNNHCMBJCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-2-yl)aniline
• IUPAC Traditional name: 2-(pyridin-2-yl)aniline
• Synonyms: 2-(Pyridin-2-yl)aniline; 2-(2-PYRIDYL)ANILINE

Database IDs

• CAS Number: 29528-30-1
• MDL Number: MFCD03426328
• PubChem SID: 162057655
• PubChem CID: 459516

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9404204
• LogD (pH = 7.4): 1.9594746
• Log P: 1.9597231
• Molar Refractivity: 53.3657 cm^3
• Polarizability: 21.626678 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%