2-(2,4-difluorophenoxy)pyridin-3-amine

• ChemBase ID: 6598
• Molecular Formular: C11H8F2N2O
• Molecular Mass: 222.1908264
• Monoisotopic Mass: 222.06046933
• SMILES: c1(Oc2ccc(cc2F)F)c(cccn1)N
• Canonical SMILES: Fc1ccc(c(c1)F)Oc1ncccc1N
• InChI: InChI=1S/C11H8F2N2O/c12-7-3-4-10(8(13)6-7)16-11-9(14)2-1-5-15-11/h1-6H,14H2
• InChIKey: LCPVQAHEFVXVKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-difluorophenoxy)pyridin-3-amine
• IUPAC Traditional name: 2-(2,4-difluorophenoxy)pyridin-3-amine
• Synonyms: 3-Amino-2-(2,4-difluorophenoxy)pyridine; 2-(2,4-difluorophenoxy)pyridin-3-amine; 3-Amino-2-(2,4-difluorophenoxy)pyridine 98%

Database IDs

• CAS Number: 175135-63-4
• MDL Number: MFCD00067802
• PubChem SID: 160969905
• PubChem CID: 2735906

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3065507
• LogD (pH = 7.4): 2.306793
• Log P: 2.306796
• Molar Refractivity: 55.5886 cm^3
• Polarizability: 20.317722 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 95-96°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 97%; 98%