3-(difluoromethoxy)pyridin-2-amine

• ChemBase ID: 269526
• Molecular Formular: C6H6F2N2O
• Molecular Mass: 160.1214464
• Monoisotopic Mass: 160.04481926
• SMILES: c1(c(OC(F)F)cccn1)N
• Canonical SMILES: FC(Oc1cccnc1N)F
• InChI: InChI=1S/C6H6F2N2O/c7-6(8)11-4-2-1-3-10-5(4)9/h1-3,6H,(H2,9,10)
• InChIKey: URJOUYRTHKWERB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12405788
• PubChem SID: 164325436
• PubChem CID: 28981901

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.46925008
• LogD (pH = 7.4): 1.2540122
• Log P: 1.2901919
• Molar Refractivity: 35.3871 cm^3
• Polarizability: 12.751735 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.388

Product Information

• Purity: 95%