5-ethynyl-2-fluoropyridine

• ChemBase ID: 52696
• Molecular Formular: C7H4FN
• Molecular Mass: 121.1117632
• Monoisotopic Mass: 121.03277735
• SMILES: c1(cnc(cc1)F)C#C
• Canonical SMILES: C#Cc1ccc(nc1)F
• InChI: InChI=1S/C7H4FN/c1-2-6-3-4-7(8)9-5-6/h1,3-5H
• InChIKey: VOBVNAROKVDQSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethynyl-2-fluoropyridine
• IUPAC Traditional name: 5-ethynyl-2-fluoropyridine
• Synonyms: 5-Ethynyl-2-fluoropyridine; (6-Fluoropyridin-3-yl)acetylene

Database IDs

• CAS Number: 853909-08-7
• MDL Number: MFCD13175289
• PubChem SID: 162057459
• PubChem CID: 46835711

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4430413
• LogD (pH = 7.4): 1.4430413
• Log P: 1.4430413
• Molar Refractivity: 30.3045 cm^3
• Polarizability: 11.679452 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Store under Argon/Keep Cold; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%