6-phenylpyridin-2-amine

• ChemBase ID: 160422
• Molecular Formular: C11H10N2
• Molecular Mass: 170.2105
• Monoisotopic Mass: 170.08439833
• SMILES: c1cc(nc(c1)N)c1ccccc1
• Canonical SMILES: Nc1cccc(n1)c1ccccc1
• InChI: InChI=1S/C11H10N2/c12-11-8-4-7-10(13-11)9-5-2-1-3-6-9/h1-8H,(H2,12,13)
• InChIKey: XDWUSBKLDNVDDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-phenylpyridin-2-amine
• IUPAC Traditional name: 6-phenylpyridin-2-amine
• Synonyms: 6-Phenyl-2-pyridinamine; (6-Phenylpyridin-2-yl)amine; 6-Amino-2-phenylpyridine; 2-Amino-6-phenylpyridine

Database IDs

• CAS Number: 39774-25-9
• PubChem SID: 162254557
• PubChem CID: 598430

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7858003
• LogD (pH = 7.4): 2.526935
• Log P: 2.5541806
• Molar Refractivity: 53.6792 cm^3
• Polarizability: 21.626886 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%

DETAILS

Toronto Research Chemicals - A626750

A derivative of 2-aminopyridinium as potent antimalarial.

REFERENCES

• Fisher, A., et al.: Life Sci., 27, 1615 (1980)
• Calas, M., et al.: J. Med. Chem., 40, 3557 (1980)
• Wengelnik, K., et al.: Science, 295, 1311 (1980)
• Ancelin, M., et al.: Antimicrob. Agents Chemother., 47, 2598 (1980)