2-fluoro-6-(pyridin-4-yl)pyridine

• ChemBase ID: 795755
• Molecular Formular: C10H7FN2
• Molecular Mass: 174.1743832
• Monoisotopic Mass: 174.05932645
• SMILES: n1c(cccc1F)c1ccncc1
• Canonical SMILES: Fc1cccc(n1)c1ccncc1
• InChI: InChI=1S/C10H7FN2/c11-10-3-1-2-9(13-10)8-4-6-12-7-5-8/h1-7H
• InChIKey: ABJSMPHOONNXOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-6-(pyridin-4-yl)pyridine
• IUPAC Traditional name: 2-fluoro-6-(pyridin-4-yl)pyridine
• Synonyms: 6-Fluoro-2,4'-bipyridine

Database IDs

• CAS Number: 1214360-31-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0917072
• LogD (pH = 7.4): 2.1074045
• Log P: 2.1076093
• Molar Refractivity: 47.7395 cm^3
• Polarizability: 19.132565 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%