1-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde

C14H13NO4 — CID 154462432

IUPAC1-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde
SMILESCOc1ccc(COn2ccc(=O)cc2C=O)cc1
InChIInChI=1S/C14H13NO4/c1-18-14-4-2-11(3-5-14)10-19-15-7-6-13(17)8-12(15)9-16/h2-9H,10H2,1H3
InChIKeyAQAZUQOQMYGJFD-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.30
Rot. Bonds5

About 1-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde

1-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde (PubChem CID 154462432) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde
PubChem CID154462432
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name1-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde
SMILESCOc1ccc(COn2ccc(=O)cc2C=O)cc1
InChIInChI=1S/C14H13NO4/c1-18-14-4-2-11(3-5-14)10-19-15-7-6-13(17)8-12(15)9-16/h2-9H,10H2,1H3
InChIKeyAQAZUQOQMYGJFD-UHFFFAOYSA-N
XLogP1.30
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(4-methoxyphenyl)methoxy]-4-oxopyridine-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-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde?
The IUPAC name of 1-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde (CID 154462432) is 1-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde.
What is the SMILES notation for 1-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde?
The canonical SMILES for 1-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde is COc1ccc(COn2ccc(=O)cc2C=O)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde?
The InChIKey is AQAZUQOQMYGJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-18-14-4-2-11(3-5-14)10-19-15-7-6-13(17)8-12(15)9-16/h2-9H,10H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde?
1-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde has a molecular weight of 259.26 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methoxy]-4-oxopyridine-2-carbaldehyde is sourced from PubChem (CID 154462432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).