1-ethenyl-2H-pyridine-2-carbaldehyde

C8H9NO — CID 151499598

IUPAC1-ethenyl-2H-pyridine-2-carbaldehyde
SMILESC=CN1C=CC=CC1C=O
InChIInChI=1S/C8H9NO/c1-2-9-6-4-3-5-8(9)7-10/h2-8H,1H2
InChIKeyPQDHWWAOKZBYRT-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.08
Rot. Bonds2

About 1-ethenyl-2H-pyridine-2-carbaldehyde

1-ethenyl-2H-pyridine-2-carbaldehyde (PubChem CID 151499598) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 1-ethenyl-2H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name1-ethenyl-2H-pyridine-2-carbaldehyde
PubChem CID151499598
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name1-ethenyl-2H-pyridine-2-carbaldehyde
SMILESC=CN1C=CC=CC1C=O
InChIInChI=1S/C8H9NO/c1-2-9-6-4-3-5-8(9)7-10/h2-8H,1H2
InChIKeyPQDHWWAOKZBYRT-UHFFFAOYSA-N
XLogP1.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethenyl-2H-pyridine-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 1-ethenyl-2H-pyridine-2-carbaldehyde?
The IUPAC name of 1-ethenyl-2H-pyridine-2-carbaldehyde (CID 151499598) is 1-ethenyl-2H-pyridine-2-carbaldehyde.
What is the SMILES notation for 1-ethenyl-2H-pyridine-2-carbaldehyde?
The canonical SMILES for 1-ethenyl-2H-pyridine-2-carbaldehyde is C=CN1C=CC=CC1C=O.
What is the InChIKey of 1-ethenyl-2H-pyridine-2-carbaldehyde?
The InChIKey is PQDHWWAOKZBYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-2-9-6-4-3-5-8(9)7-10/h2-8H,1H2.
What are the key properties of 1-ethenyl-2H-pyridine-2-carbaldehyde?
1-ethenyl-2H-pyridine-2-carbaldehyde has a molecular weight of 135.17 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2H-pyridine-2-carbaldehyde is sourced from PubChem (CID 151499598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).