4-phenylpyridin-2-amine

• ChemBase ID: 293490
• Molecular Formular: C11H10N2
• Molecular Mass: 170.2105
• Monoisotopic Mass: 170.08439833
• SMILES: Nc1nccc(c2ccccc2)c1
• Canonical SMILES: Nc1nccc(c1)c1ccccc1
• InChI: InChI=1S/C11H10N2/c12-11-8-10(6-7-13-11)9-4-2-1-3-5-9/h1-8H,(H2,12,13)
• InChIKey: BAOIJCGWLQNKOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenylpyridin-2-amine
• IUPAC Traditional name: 4-phenylpyridin-2-amine
• Synonyms: 2-Amino-4-phenylpyridine

Database IDs

• CAS Number: 60781-83-1
• PubChem SID: 180679021
• PubChem CID: 109014

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0597099
• LogD (pH = 7.4): 2.073293
• Log P: 2.1683304
• Molar Refractivity: 54.0512 cm^3
• Polarizability: 21.62281 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%