2,6-difluoropyridin-4-amine

• ChemBase ID: 100814
• Molecular Formular: C5H4F2N2
• Molecular Mass: 130.0954664
• Monoisotopic Mass: 130.03425458
• SMILES: n1c(cc(cc1F)N)F
• Canonical SMILES: Nc1cc(F)nc(c1)F
• InChI: InChI=1S/C5H4F2N2/c6-4-1-3(8)2-5(7)9-4/h1-2H,(H2,8,9)
• InChIKey: OWXBXLGJIFPPMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-difluoropyridin-4-amine
• IUPAC Traditional name: 2,6-difluoropyridin-4-amine
• Synonyms: 4-Amino-2,6-difluoropyridine

Database IDs

• CAS Number: 63489-58-7
• MDL Number: MFCD08436089
• PubChem SID: 162086684
• PubChem CID: 11286475

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9999126
• LogD (pH = 7.4): 0.9999126
• Log P: 0.9999126
• Molar Refractivity: 31.0637 cm^3
• Polarizability: 10.124092 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 124-125°C

Safety Information

• Storage Warning: Toxic