5-phenylpyridin-3-amine

• ChemBase ID: 812835
• Molecular Formular: C11H10N2
• Molecular Mass: 170.2105
• Monoisotopic Mass: 170.08439833
• SMILES: n1cc(cc(c1)c1ccccc1)N
• Canonical SMILES: Nc1cncc(c1)c1ccccc1
• InChI: InChI=1S/C11H10N2/c12-11-6-10(7-13-8-11)9-4-2-1-3-5-9/h1-8H,12H2
• InChIKey: BAXUDPKGRMMFBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-phenylpyridin-3-amine
• IUPAC Traditional name: 5-phenylpyridin-3-amine
• Synonyms: 3-AMINO-5-PHENYLPYRIDINE

Database IDs

• CAS Number: 31676-54-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3760319
• LogD (pH = 7.4): 1.570509
• Log P: 1.5738728
• Molar Refractivity: 53.7377 cm^3
• Polarizability: 21.625664 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%