6-fluoropyridine-3,4-diamine

• ChemBase ID: 804944
• Molecular Formular: C5H6FN3
• Molecular Mass: 127.1196432
• Monoisotopic Mass: 127.05457543
• SMILES: n1cc(c(cc1F)N)N
• Canonical SMILES: Fc1ncc(c(c1)N)N
• InChI: InChI=1S/C5H6FN3/c6-5-1-3(7)4(8)2-9-5/h1-2H,8H2,(H2,7,9)
• InChIKey: WAOINDABWBSPMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoropyridine-3,4-diamine
• IUPAC Traditional name: 6-fluoropyridine-3,4-diamine
• Synonyms: 6-FLUORO-3,4-PYRIDINEDIAMINE

Database IDs

• CAS Number: 60186-24-5

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.36855
• LogD (pH = 7.4): -0.3656826
• Log P: -0.36564592
• Molar Refractivity: 34.533 cm^3
• Polarizability: 11.450246 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%