2-phenylpyridin-3-amine hydrochloride

• ChemBase ID: 243400
• Molecular Formular: C11H11ClN2
• Molecular Mass: 206.67144
• Monoisotopic Mass: 206.06107604
• SMILES: c1(ncccc1N)c1ccccc1.Cl
• Canonical SMILES: Nc1cccnc1c1ccccc1.Cl
• InChI: InChI=1S/C11H10N2.ClH/c12-10-7-4-8-13-11(10)9-5-2-1-3-6-9;/h1-8H,12H2;1H
• InChIKey: WUUPIONDVKXCBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylpyridin-3-amine hydrochloride
• IUPAC Traditional name: 2-phenylpyridin-3-amine hydrochloride
• Synonyms: 2-phenylpyridin-3-amine hydrochloride; 2-Phenyl-pyridin-3-ylamine hydrochloride

Database IDs

• CAS Number: 219121-62-7
• MDL Number: MFCD03839820
• PubChem SID: 164299310
• PubChem CID: 2762783

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: 204 - 206°C
• Hydrophobicity(logP): 2.416

Product Information

• Purity: 95%; 98%