2,6-difluoropyridin-3-amine

• ChemBase ID: 291776
• Molecular Formular: C5H4F2N2
• Molecular Mass: 130.0954664
• Monoisotopic Mass: 130.03425458
• SMILES: Nc1ccc(F)nc1F
• Canonical SMILES: Fc1ccc(c(n1)F)N
• InChI: InChI=1S/C5H4F2N2/c6-4-2-1-3(8)5(7)9-4/h1-2H,8H2
• InChIKey: TVWPHKCZBQOPBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-difluoropyridin-3-amine
• IUPAC Traditional name: 2,6-difluoropyridin-3-amine
• Synonyms: 2,6-Difluoropyridin-3-amine

Database IDs

• CAS Number: 108118-69-0
• MDL Number: MFCD13185331
• PubChem SID: 180677307
• PubChem CID: 45080006

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: 10.129216 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%