2-(difluoromethoxy)pyridin-3-amine

• ChemBase ID: 796424
• Molecular Formular: C6H6F2N2O
• Molecular Mass: 160.1214464
• Monoisotopic Mass: 160.04481926
• SMILES: n1c(c(ccc1)N)OC(F)F
• Canonical SMILES: FC(Oc1ncccc1N)F
• InChI: InChI=1S/C6H6F2N2O/c7-6(8)11-5-4(9)2-1-3-10-5/h1-3,6H,9H2
• InChIKey: DWDLHRLEFAHRPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(difluoromethoxy)pyridin-3-amine
• IUPAC Traditional name: 2-(difluoromethoxy)pyridin-3-amine
• Synonyms: 2-(DifluoroMethoxy)pyridin-3-aMine

Database IDs

• CAS Number: 1214344-58-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2896423
• LogD (pH = 7.4): 1.290185
• Log P: 1.2901919
• Molar Refractivity: 35.3871 cm^3
• Polarizability: 12.755096 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%