4-(9H-fluoren-9-yl)pyridine

• ChemBase ID: 86669
• Molecular Formular: C18H13N
• Molecular Mass: 243.30252
• Monoisotopic Mass: 243.10479942
• SMILES: n1ccc(cc1)C1c2c(cccc2)c2c1cccc2
• Canonical SMILES: n1ccc(cc1)C1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C18H13N/c1-3-7-16-14(5-1)15-6-2-4-8-17(15)18(16)13-9-11-19-12-10-13/h1-12,18H
• InChIKey: QZQYNZZUBLVQAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(9H-fluoren-9-yl)pyridine
• IUPAC Traditional name: 4-(9H-fluoren-9-yl)pyridine
• Synonyms: 4-(9H-fluoren-9-yl)pyridine

Database IDs

• CAS Number: 2769-87-1
• MDL Number: MFCD00204078
• PubChem SID: 162073785
• PubChem CID: 2746284

CALCULATED PROPERTIES

• Acid pKa: 16.63819
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8556933
• LogD (pH = 7.4): 3.940936
• Log P: 3.9421701
• Molar Refractivity: 77.3601 cm^3
• Polarizability: 31.182463 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%