2-ethynyl-6-fluoropyridine

• ChemBase ID: 292604
• Molecular Formular: C7H4FN
• Molecular Mass: 121.1117632
• Monoisotopic Mass: 121.03277735
• SMILES: Fc1cccc(n1)C#C
• Canonical SMILES: C#Cc1cccc(n1)F
• InChI: InChI=1S/C7H4FN/c1-2-6-4-3-5-7(8)9-6/h1,3-5H
• InChIKey: JFEWFXHNPSMINO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethynyl-6-fluoropyridine
• IUPAC Traditional name: 2-ethynyl-6-fluoropyridine
• Synonyms: 2-Ethynyl-6-fluoropyridine

Database IDs

• CAS Number: 1233205-73-6
• PubChem SID: 180678135
• PubChem CID: 58574354

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8288916
• LogD (pH = 7.4): 1.8288916
• Log P: 1.8288916
• Molar Refractivity: 29.9325 cm^3
• Polarizability: 11.682589 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%