3-phenylpyridin-2-amine

• ChemBase ID: 67528
• Molecular Formular: C11H10N2
• Molecular Mass: 170.2105
• Monoisotopic Mass: 170.08439833
• SMILES: Nc1c(cccn1)c1ccccc1
• Canonical SMILES: Nc1ncccc1c1ccccc1
• InChI: InChI=1S/C11H10N2/c12-11-10(7-4-8-13-11)9-5-2-1-3-6-9/h1-8H,(H2,12,13)
• InChIKey: OJXNUAWQULNUCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenylpyridin-2-amine
• IUPAC Traditional name: 3-phenylpyridin-2-amine
• Synonyms: 3-Phenylpyridin-2-ylamine; 3-PHENYL-PYRIDIN-2-YLAMINE; 3-phenylpyridin-2-amine

Database IDs

• CAS Number: 87109-10-2
• MDL Number: MFCD04114119
• PubChem SID: 162033263
• PubChem CID: 2762795

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2440299
• LogD (pH = 7.4): 2.1178539
• Log P: 2.1683304
• Molar Refractivity: 54.0512 cm^3
• Polarizability: 21.624125 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 103 - 105°C
• Hydrophobicity(logP): 2.206

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%