2-methoxy-6-(trifluoromethyl)pyridin-3-amine

• ChemBase ID: 803020
• Molecular Formular: C7H7F3N2O
• Molecular Mass: 192.1384896
• Monoisotopic Mass: 192.05104751
• SMILES: n1c(c(ccc1C(F)(F)F)N)OC
• Canonical SMILES: COc1nc(ccc1N)C(F)(F)F
• InChI: InChI=1S/C7H7F3N2O/c1-13-6-4(11)2-3-5(12-6)7(8,9)10/h2-3H,11H2,1H3
• InChIKey: CACVEEZPWDHLFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-6-(trifluoromethyl)pyridin-3-amine
• IUPAC Traditional name: 2-methoxy-6-(trifluoromethyl)pyridin-3-amine
• Synonyms: 2-METHOXY-3-AMINO-6-TRIFLUOROMETHYLPYRIDINE

Database IDs

• CAS Number: 944900-09-8

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6271318
• LogD (pH = 7.4): 1.6271325
• Log P: 1.6271325
• Molar Refractivity: 40.9799 cm^3
• Polarizability: 14.463114 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%