6-fluoropyridine-2,3-diamine

• ChemBase ID: 801127
• Molecular Formular: C5H6FN3
• Molecular Mass: 127.1196432
• Monoisotopic Mass: 127.05457543
• SMILES: n1c(c(ccc1F)N)N
• Canonical SMILES: Fc1ccc(c(n1)N)N
• InChI: InChI=1S/C5H6FN3/c6-4-2-1-3(7)5(8)9-4/h1-2H,7H2,(H2,8,9)
• InChIKey: OCAHJYPQETZMIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoropyridine-2,3-diamine
• IUPAC Traditional name: 6-fluoropyridine-2,3-diamine
• Synonyms: 6-FLUORO-2,3-PYRIDINEDIAMINE

Database IDs

• CAS Number: 60186-26-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.22878465
• LogD (pH = 7.4): 0.22881128
• Log P: 0.22881162
• Molar Refractivity: 34.8465 cm^3
• Polarizability: 11.453982 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%