5-fluoro-2-(prop-2-yn-1-yl)pyridine

• ChemBase ID: 801827
• Molecular Formular: C8H6FN
• Molecular Mass: 135.1383432
• Monoisotopic Mass: 135.04842742
• SMILES: n1c(ccc(c1)F)CC#C
• Canonical SMILES: C#CCc1ccc(cn1)F
• InChI: InChI=1S/C8H6FN/c1-2-3-8-5-4-7(9)6-10-8/h1,4-6H,3H2
• InChIKey: NSKWTCATHZBPCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-(prop-2-yn-1-yl)pyridine
• IUPAC Traditional name: 5-fluoro-2-(prop-2-yn-1-yl)pyridine
• Synonyms: 5-FLUORO-2-PROP-2-YNYLPYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.3675137
• LogD (pH = 7.4): 1.3675942
• Log P: 1.3675952
• Molar Refractivity: 36.3985 cm^3
• Polarizability: 13.517072 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%