3-cyclopropyl-2-fluoropyridine

• ChemBase ID: 796415
• Molecular Formular: C8H8FN
• Molecular Mass: 137.1542232
• Monoisotopic Mass: 137.06407748
• SMILES: n1c(c(ccc1)C1CC1)F
• Canonical SMILES: Fc1ncccc1C1CC1
• InChI: InChI=1S/C8H8FN/c9-8-7(6-3-4-6)2-1-5-10-8/h1-2,5-6H,3-4H2
• InChIKey: VVFSMQRQXSDRMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclopropyl-2-fluoropyridine
• IUPAC Traditional name: 3-cyclopropyl-2-fluoropyridine
• Synonyms: 3-Cyclopropyl-2-fluoropyridine

Database IDs

• CAS Number: 1227177-68-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0734887
• LogD (pH = 7.4): 2.0734892
• Log P: 2.0734892
• Molar Refractivity: 37.5208 cm^3
• Polarizability: 13.815348 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%