2-pyridin-4-ylacetaldehyde

C7H7NO — CID 18688704

IUPAC2-pyridin-4-ylacetaldehyde
SMILESO=CCc1ccncc1
InChIInChI=1S/C7H7NO/c9-6-3-7-1-4-8-5-2-7/h1-2,4-6H,3H2
InChIKeyAZTCLKFBAGFZRR-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.82
Rot. Bonds2

About 2-pyridin-4-ylacetaldehyde

2-pyridin-4-ylacetaldehyde (PubChem CID 18688704) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is 2-pyridin-4-ylacetaldehyde.

Molecular Properties

Compound Name2-pyridin-4-ylacetaldehyde
PubChem CID18688704
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Name2-pyridin-4-ylacetaldehyde
SMILESO=CCc1ccncc1
InChIInChI=1S/C7H7NO/c9-6-3-7-1-4-8-5-2-7/h1-2,4-6H,3H2
InChIKeyAZTCLKFBAGFZRR-UHFFFAOYSA-N
XLogP0.82
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.82
H-Bond Donors ≤ 50
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 2-pyridin-4-ylacetaldehyde?
The IUPAC name of 2-pyridin-4-ylacetaldehyde (CID 18688704) is 2-pyridin-4-ylacetaldehyde.
What is the SMILES notation for 2-pyridin-4-ylacetaldehyde?
The canonical SMILES for 2-pyridin-4-ylacetaldehyde is O=CCc1ccncc1.
What is the InChIKey of 2-pyridin-4-ylacetaldehyde?
The InChIKey is AZTCLKFBAGFZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO/c9-6-3-7-1-4-8-5-2-7/h1-2,4-6H,3H2.
What are the key properties of 2-pyridin-4-ylacetaldehyde?
2-pyridin-4-ylacetaldehyde has a molecular weight of 121.14 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-ylacetaldehyde is sourced from PubChem (CID 18688704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).