5-ethenyl-4-oxo-1H-pyridine-3-carbaldehyde

C8H7NO2 — CID 125128202

IUPAC5-ethenyl-4-oxo-1H-pyridine-3-carbaldehyde
SMILESC=Cc1c[nH]cc(C=O)c1=O
InChIInChI=1S/C8H7NO2/c1-2-6-3-9-4-7(5-10)8(6)11/h2-5H,1H2,(H,9,11)
InChIKeySLTSQTFZZVZSDO-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.83
Rot. Bonds2

About 5-ethenyl-4-oxo-1H-pyridine-3-carbaldehyde

5-ethenyl-4-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 125128202) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 5-ethenyl-4-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-ethenyl-4-oxo-1H-pyridine-3-carbaldehyde
PubChem CID125128202
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name5-ethenyl-4-oxo-1H-pyridine-3-carbaldehyde
SMILESC=Cc1c[nH]cc(C=O)c1=O
InChIInChI=1S/C8H7NO2/c1-2-6-3-9-4-7(5-10)8(6)11/h2-5H,1H2,(H,9,11)
InChIKeySLTSQTFZZVZSDO-UHFFFAOYSA-N
XLogP0.83
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 5-ethenyl-4-oxo-1H-pyridine-3-carbaldehyde (CID 125128202) is 5-ethenyl-4-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 5-ethenyl-4-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 5-ethenyl-4-oxo-1H-pyridine-3-carbaldehyde is C=Cc1c[nH]cc(C=O)c1=O.
What is the InChIKey of 5-ethenyl-4-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is SLTSQTFZZVZSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c1-2-6-3-9-4-7(5-10)8(6)11/h2-5H,1H2,(H,9,11).
What are the key properties of 5-ethenyl-4-oxo-1H-pyridine-3-carbaldehyde?
5-ethenyl-4-oxo-1H-pyridine-3-carbaldehyde has a molecular weight of 149.15 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 125128202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).