5-[3-(2-pyridin-2-ylethenyl)phenyl]furan-2-carbaldehyde

C18H13NO2 — CID 169332508

IUPAC5-[3-(2-pyridin-2-ylethenyl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(C=Cc3ccccn3)c2)o1
InChIInChI=1S/C18H13NO2/c20-13-17-9-10-18(21-17)15-5-3-4-14(12-15)7-8-16-6-1-2-11-19-16/h1-13H
InChIKeyNYHXQXHQFPUUDL-UHFFFAOYSA-N
MW275.31 g/mol
LogP4.32
Rot. Bonds4

About 5-[3-(2-pyridin-2-ylethenyl)phenyl]furan-2-carbaldehyde

5-[3-(2-pyridin-2-ylethenyl)phenyl]furan-2-carbaldehyde (PubChem CID 169332508) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-[3-(2-pyridin-2-ylethenyl)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-(2-pyridin-2-ylethenyl)phenyl]furan-2-carbaldehyde
PubChem CID169332508
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name5-[3-(2-pyridin-2-ylethenyl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(C=Cc3ccccn3)c2)o1
InChIInChI=1S/C18H13NO2/c20-13-17-9-10-18(21-17)15-5-3-4-14(12-15)7-8-16-6-1-2-11-19-16/h1-13H
InChIKeyNYHXQXHQFPUUDL-UHFFFAOYSA-N
XLogP4.32
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[3-(2-pyridin-2-ylethenyl)phenyl]furan-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-pyridin-2-ylethenyl)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[3-(2-pyridin-2-ylethenyl)phenyl]furan-2-carbaldehyde (CID 169332508) is 5-[3-(2-pyridin-2-ylethenyl)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[3-(2-pyridin-2-ylethenyl)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[3-(2-pyridin-2-ylethenyl)phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2cccc(C=Cc3ccccn3)c2)o1.
What is the InChIKey of 5-[3-(2-pyridin-2-ylethenyl)phenyl]furan-2-carbaldehyde?
The InChIKey is NYHXQXHQFPUUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c20-13-17-9-10-18(21-17)15-5-3-4-14(12-15)7-8-16-6-1-2-11-19-16/h1-13H.
What are the key properties of 5-[3-(2-pyridin-2-ylethenyl)phenyl]furan-2-carbaldehyde?
5-[3-(2-pyridin-2-ylethenyl)phenyl]furan-2-carbaldehyde has a molecular weight of 275.31 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-pyridin-2-ylethenyl)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169332508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).