4-amino-2-[(E)-2-pyridin-4-ylethenyl]benzaldehyde

C14H12N2O — CID 166126887

IUPAC4-amino-2-[(E)-2-pyridin-4-ylethenyl]benzaldehyde
SMILESNc1ccc(C=O)c(/C=C/c2ccncc2)c1
InChIInChI=1S/C14H12N2O/c15-14-4-3-13(10-17)12(9-14)2-1-11-5-7-16-8-6-11/h1-10H,15H2/b2-1+
InChIKeyUEWYUGLOZDKZEV-OWOJBTEDSA-N
MW224.26 g/mol
LogP2.65
Rot. Bonds3

About 4-amino-2-[(E)-2-pyridin-4-ylethenyl]benzaldehyde

4-amino-2-[(E)-2-pyridin-4-ylethenyl]benzaldehyde (PubChem CID 166126887) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-amino-2-[(E)-2-pyridin-4-ylethenyl]benzaldehyde.

Molecular Properties

Compound Name4-amino-2-[(E)-2-pyridin-4-ylethenyl]benzaldehyde
PubChem CID166126887
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name4-amino-2-[(E)-2-pyridin-4-ylethenyl]benzaldehyde
SMILESNc1ccc(C=O)c(/C=C/c2ccncc2)c1
InChIInChI=1S/C14H12N2O/c15-14-4-3-13(10-17)12(9-14)2-1-11-5-7-16-8-6-11/h1-10H,15H2/b2-1+
InChIKeyUEWYUGLOZDKZEV-OWOJBTEDSA-N
XLogP2.65
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(E)-2-pyridin-4-ylethenyl]benzaldehyde?
The IUPAC name of 4-amino-2-[(E)-2-pyridin-4-ylethenyl]benzaldehyde (CID 166126887) is 4-amino-2-[(E)-2-pyridin-4-ylethenyl]benzaldehyde.
What is the SMILES notation for 4-amino-2-[(E)-2-pyridin-4-ylethenyl]benzaldehyde?
The canonical SMILES for 4-amino-2-[(E)-2-pyridin-4-ylethenyl]benzaldehyde is Nc1ccc(C=O)c(/C=C/c2ccncc2)c1.
What is the InChIKey of 4-amino-2-[(E)-2-pyridin-4-ylethenyl]benzaldehyde?
The InChIKey is UEWYUGLOZDKZEV-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H12N2O/c15-14-4-3-13(10-17)12(9-14)2-1-11-5-7-16-8-6-11/h1-10H,15H2/b2-1+.
What are the key properties of 4-amino-2-[(E)-2-pyridin-4-ylethenyl]benzaldehyde?
4-amino-2-[(E)-2-pyridin-4-ylethenyl]benzaldehyde has a molecular weight of 224.26 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(E)-2-pyridin-4-ylethenyl]benzaldehyde is sourced from PubChem (CID 166126887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).