6-methyl-4-(trifluoromethyl)pyridin-2-amine

• ChemBase ID: 160323
• Molecular Formular: C7H7F3N2
• Molecular Mass: 176.1390896
• Monoisotopic Mass: 176.05613289
• SMILES: c1(cc(cc(n1)N)C(F)(F)F)C
• Canonical SMILES: Cc1nc(N)cc(c1)C(F)(F)F
• InChI: InChI=1S/C7H7F3N2/c1-4-2-5(7(8,9)10)3-6(11)12-4/h2-3H,1H3,(H2,11,12)
• InChIKey: LCSAFGRUAPRSPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-4-(trifluoromethyl)pyridin-2-amine
• IUPAC Traditional name: 6-methyl-4-(trifluoromethyl)pyridin-2-amine
• Synonyms: 6-Methyl-4-(trifluoromethyl)-2-pyridinamine; (6-Methyl-4-trifluoromethylpyridin-2-yl)amine; 2-Amino-6-methyl-4-(trifluoromethyl)pyridine; 6-METHYL-4-(TRIFLUOROMETHYL)PYRIDIN-2-AMINE

Database IDs

• CAS Number: 165385-89-7
• PubChem SID: 162254458
• PubChem CID: 18428521

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.02838698
• LogD (pH = 7.4): 1.2935714
• Log P: 1.5303236
• Molar Refractivity: 39.4802 cm^3
• Polarizability: 13.604066 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%

DETAILS

Toronto Research Chemicals - A618270

An amino pyridine derivative used in the preparation of tetrameric fructose-1,6-bisphosphatase inhibitors as well as other pharmaceutical agents.

REFERENCES

• Hebeisen, P. et al.: Bioorg. Med. Chem. Lett., 21, 3237 (2011)