N-phenylpyridin-4-amine

• ChemBase ID: 58422
• Molecular Formular: C11H10N2
• Molecular Mass: 170.2105
• Monoisotopic Mass: 170.08439833
• SMILES: c1c(cccc1)Nc1ccncc1
• Canonical SMILES: c1ccc(cc1)Nc1ccncc1
• InChI: InChI=1S/C11H10N2/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-9H,(H,12,13)
• InChIKey: DKQSRQLSDPYGCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenylpyridin-4-amine
• IUPAC Traditional name: N-phenylpyridin-4-amine
• Synonyms: N-Phenylpyridin-4-amine

Database IDs

• MDL Number: MFCD00457758
• PubChem SID: 162063185
• PubChem CID: 89945

CALCULATED PROPERTIES

• Acid pKa: 19.501337
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2224275
• LogD (pH = 7.4): 1.6578271
• Log P: 2.1954992
• Molar Refractivity: 52.3873 cm^3
• Polarizability: 20.188019 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false