2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2-pyridinyl]-4-fluorophenol

C₁₉H₁₅FN₂O — CID 155516972

About 2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2-pyridinyl]-4-fluorophenol

2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2-pyridinyl]-4-fluorophenol (PubChem CID 155516972) has the molecular formula C₁₉H₁₅FN₂O and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2-pyridinyl]-4-fluorophenol.

Molecular Properties

• Compound Name: 2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2-pyridinyl]-4-fluorophenol
• PubChem CID: 155516972
• Molecular Formula: C₁₉H₁₅FN₂O
• Molecular Weight: 306.34 g/mol
• Exact Mass: 306.12
• IUPAC Name: 2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2-pyridinyl]-4-fluorophenol
• SMILES: Nc1ccc(/C=C/c2ccnc(-c3cc(F)ccc3O)c2)cc1
• InChI: InChI=1S/C19H15FN2O/c20-15-5-8-19(23)17(12-15)18-11-14(9-10-22-18)2-1-13-3-6-16(21)7-4-13/h1-12,23H,21H2/b2-1+
• InChIKey: UPODJBQJUMBVER-OWOJBTEDSA-N
• XLogP: 4.35
• TPSA: 59.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.34
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2-pyridinyl]-4-fluorophenol?

The IUPAC name of 2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2-pyridinyl]-4-fluorophenol (CID 155516972) is 2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2-pyridinyl]-4-fluorophenol.

What is the SMILES notation for 2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2-pyridinyl]-4-fluorophenol?

The canonical SMILES for 2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2-pyridinyl]-4-fluorophenol is Nc1ccc(/C=C/c2ccnc(-c3cc(F)ccc3O)c2)cc1.

What is the InChIKey of 2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2-pyridinyl]-4-fluorophenol?

The InChIKey is UPODJBQJUMBVER-OWOJBTEDSA-N. The full InChI is InChI=1S/C19H15FN2O/c20-15-5-8-19(23)17(12-15)18-11-14(9-10-22-18)2-1-13-3-6-16(21)7-4-13/h1-12,23H,21H2/b2-1+.

What are the key properties of 2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2-pyridinyl]-4-fluorophenol?

2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2-pyridinyl]-4-fluorophenol has a molecular weight of 306.34 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2-pyridinyl]-4-fluorophenol is sourced from PubChem (CID 155516972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155516972 — identifiers, structure, computed properties (public domain)

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