2-phenylpyridin-3-amine

• ChemBase ID: 87913
• Molecular Formular: C11H10N2
• Molecular Mass: 170.2105
• Monoisotopic Mass: 170.08439833
• SMILES: n1c(c(ccc1)N)c1ccccc1
• Canonical SMILES: Nc1cccnc1c1ccccc1
• InChI: InChI=1S/C11H10N2/c12-10-7-4-8-13-11(10)9-5-2-1-3-6-9/h1-8H,12H2
• InChIKey: XTHJCITVHCRQRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylpyridin-3-amine
• IUPAC Traditional name: 2-phenylpyridin-3-amine
• Synonyms: 2-Phenylpyridin-3-amine; (3-Aminopyridin-2-yl)benzene; 3-Amino-2-phenylpyridine

Database IDs

• CAS Number: 101601-80-3
• MDL Number: MFCD04114113
• PubChem SID: 162074953
• PubChem CID: 2762784

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8402177
• LogD (pH = 7.4): 1.9579747
• Log P: 1.9597231
• Molar Refractivity: 53.3657 cm^3
• Polarizability: 21.62622 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 62-64°C

Safety Information

• Storage Warning: Irritant/Store under Argon

Product Information

• Purity: 98%