2-ethynyl-5-fluoropyridine

• ChemBase ID: 293702
• Molecular Formular: C7H4FN
• Molecular Mass: 121.1117632
• Monoisotopic Mass: 121.03277735
• SMILES: Fc1cnc(C#C)cc1
• Canonical SMILES: C#Cc1ccc(cn1)F
• InChI: InChI=1S/C7H4FN/c1-2-7-4-3-6(8)5-9-7/h1,3-5H
• InChIKey: KHCIVRLMGQEZPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethynyl-5-fluoropyridine
• IUPAC Traditional name: 2-ethynyl-5-fluoropyridine
• Synonyms: 2-Ethynyl-5-fluoropyridine

Database IDs

• CAS Number: 884494-34-2
• PubChem SID: 180679233
• PubChem CID: 44754926

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4349486
• LogD (pH = 7.4): 1.4349608
• Log P: 1.434961
• Molar Refractivity: 28.9178 cm^3
• Polarizability: 11.682763 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%