N-phenylpyridin-2-amine

• ChemBase ID: 250990
• Molecular Formular: C11H10N2
• Molecular Mass: 170.2105
• Monoisotopic Mass: 170.08439833
• SMILES: c1(Nc2ccccc2)ncccc1
• Canonical SMILES: c1ccc(cc1)Nc1ccccn1
• InChI: InChI=1S/C11H10N2/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11/h1-9H,(H,12,13)
• InChIKey: HUDSSSKDWYXKGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenylpyridin-2-amine
• IUPAC Traditional name: 2-pyridineamine, N-phenyl
• Synonyms: N-phenylpyridin-2-amine

Database IDs

• CAS Number: 6631-37-4
• MDL Number: MFCD00006248
• PubChem SID: 164306900
• PubChem CID: 81130

CALCULATED PROPERTIES

• Acid pKa: 17.004265
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5503013
• LogD (pH = 7.4): 2.7858496
• Log P: 2.7899568
• Molar Refractivity: 52.7008 cm^3
• Polarizability: 20.191387 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.095

Product Information

• Purity: 95%