4-[(E)-2-(4-aminophenyl)ethenyl]-2-pyridin-2-ylphenol

C19H16N2O — CID 155541996

IUPAC4-[(E)-2-(4-aminophenyl)ethenyl]-2-pyridin-2-ylphenol
SMILESNc1ccc(/C=C/c2ccc(O)c(-c3ccccn3)c2)cc1
InChIInChI=1S/C19H16N2O/c20-16-9-6-14(7-10-16)4-5-15-8-11-19(22)17(13-15)18-3-1-2-12-21-18/h1-13,22H,20H2/b5-4+
InChIKeyAMBKOZUCUQKTRV-SNAWJCMRSA-N
MW288.35 g/mol
LogP4.21
Rot. Bonds3

About 4-[(E)-2-(4-aminophenyl)ethenyl]-2-pyridin-2-ylphenol

4-[(E)-2-(4-aminophenyl)ethenyl]-2-pyridin-2-ylphenol (PubChem CID 155541996) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[(E)-2-(4-aminophenyl)ethenyl]-2-pyridin-2-ylphenol.

Molecular Properties

Compound Name4-[(E)-2-(4-aminophenyl)ethenyl]-2-pyridin-2-ylphenol
PubChem CID155541996
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name4-[(E)-2-(4-aminophenyl)ethenyl]-2-pyridin-2-ylphenol
SMILESNc1ccc(/C=C/c2ccc(O)c(-c3ccccn3)c2)cc1
InChIInChI=1S/C19H16N2O/c20-16-9-6-14(7-10-16)4-5-15-8-11-19(22)17(13-15)18-3-1-2-12-21-18/h1-13,22H,20H2/b5-4+
InChIKeyAMBKOZUCUQKTRV-SNAWJCMRSA-N
XLogP4.21
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-aminophenyl)ethenyl]-2-pyridin-2-ylphenol?
The IUPAC name of 4-[(E)-2-(4-aminophenyl)ethenyl]-2-pyridin-2-ylphenol (CID 155541996) is 4-[(E)-2-(4-aminophenyl)ethenyl]-2-pyridin-2-ylphenol.
What is the SMILES notation for 4-[(E)-2-(4-aminophenyl)ethenyl]-2-pyridin-2-ylphenol?
The canonical SMILES for 4-[(E)-2-(4-aminophenyl)ethenyl]-2-pyridin-2-ylphenol is Nc1ccc(/C=C/c2ccc(O)c(-c3ccccn3)c2)cc1.
What is the InChIKey of 4-[(E)-2-(4-aminophenyl)ethenyl]-2-pyridin-2-ylphenol?
The InChIKey is AMBKOZUCUQKTRV-SNAWJCMRSA-N. The full InChI is InChI=1S/C19H16N2O/c20-16-9-6-14(7-10-16)4-5-15-8-11-19(22)17(13-15)18-3-1-2-12-21-18/h1-13,22H,20H2/b5-4+.
What are the key properties of 4-[(E)-2-(4-aminophenyl)ethenyl]-2-pyridin-2-ylphenol?
4-[(E)-2-(4-aminophenyl)ethenyl]-2-pyridin-2-ylphenol has a molecular weight of 288.35 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-aminophenyl)ethenyl]-2-pyridin-2-ylphenol is sourced from PubChem (CID 155541996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).