4-[6-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]benzaldehyde

C20H14N2O3 — CID 135323243

IUPAC4-[6-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]benzaldehyde
SMILESO=Cc1ccc(-c2cccc(/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1
InChIInChI=1S/C20H14N2O3/c23-14-16-4-9-17(10-5-16)20-3-1-2-18(21-20)11-6-15-7-12-19(13-8-15)22(24)25/h1-14H/b11-6+
InChIKeyCCCKGXVEWLHTRR-IZZDOVSWSA-N
MW330.34 g/mol
LogP4.64
Rot. Bonds5

About 4-[6-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]benzaldehyde

4-[6-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]benzaldehyde (PubChem CID 135323243) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is 4-[6-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]benzaldehyde.

Molecular Properties

Compound Name4-[6-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]benzaldehyde
PubChem CID135323243
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC Name4-[6-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]benzaldehyde
SMILESO=Cc1ccc(-c2cccc(/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1
InChIInChI=1S/C20H14N2O3/c23-14-16-4-9-17(10-5-16)20-3-1-2-18(21-20)11-6-15-7-12-19(13-8-15)22(24)25/h1-14H/b11-6+
InChIKeyCCCKGXVEWLHTRR-IZZDOVSWSA-N
XLogP4.64
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]benzaldehyde?
The IUPAC name of 4-[6-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]benzaldehyde (CID 135323243) is 4-[6-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]benzaldehyde.
What is the SMILES notation for 4-[6-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]benzaldehyde?
The canonical SMILES for 4-[6-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]benzaldehyde is O=Cc1ccc(-c2cccc(/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1.
What is the InChIKey of 4-[6-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]benzaldehyde?
The InChIKey is CCCKGXVEWLHTRR-IZZDOVSWSA-N. The full InChI is InChI=1S/C20H14N2O3/c23-14-16-4-9-17(10-5-16)20-3-1-2-18(21-20)11-6-15-7-12-19(13-8-15)22(24)25/h1-14H/b11-6+.
What are the key properties of 4-[6-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]benzaldehyde?
4-[6-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]benzaldehyde has a molecular weight of 330.34 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]benzaldehyde is sourced from PubChem (CID 135323243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).