6-(4-ethylphenyl)-1-methyl-2-oxopyridine-3-carbaldehyde

C15H15NO2 — CID 82520654

IUPAC6-(4-ethylphenyl)-1-methyl-2-oxopyridine-3-carbaldehyde
SMILESCCc1ccc(-c2ccc(C=O)c(=O)n2C)cc1
InChIInChI=1S/C15H15NO2/c1-3-11-4-6-12(7-5-11)14-9-8-13(10-17)15(18)16(14)2/h4-10H,3H2,1-2H3
InChIKeyYRXCIPMQUOKOMS-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.43
Rot. Bonds3

About 6-(4-ethylphenyl)-1-methyl-2-oxopyridine-3-carbaldehyde

6-(4-ethylphenyl)-1-methyl-2-oxopyridine-3-carbaldehyde (PubChem CID 82520654) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-1-methyl-2-oxopyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(4-ethylphenyl)-1-methyl-2-oxopyridine-3-carbaldehyde
PubChem CID82520654
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name6-(4-ethylphenyl)-1-methyl-2-oxopyridine-3-carbaldehyde
SMILESCCc1ccc(-c2ccc(C=O)c(=O)n2C)cc1
InChIInChI=1S/C15H15NO2/c1-3-11-4-6-12(7-5-11)14-9-8-13(10-17)15(18)16(14)2/h4-10H,3H2,1-2H3
InChIKeyYRXCIPMQUOKOMS-UHFFFAOYSA-N
XLogP2.43
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-1-methyl-2-oxopyridine-3-carbaldehyde?
The IUPAC name of 6-(4-ethylphenyl)-1-methyl-2-oxopyridine-3-carbaldehyde (CID 82520654) is 6-(4-ethylphenyl)-1-methyl-2-oxopyridine-3-carbaldehyde.
What is the SMILES notation for 6-(4-ethylphenyl)-1-methyl-2-oxopyridine-3-carbaldehyde?
The canonical SMILES for 6-(4-ethylphenyl)-1-methyl-2-oxopyridine-3-carbaldehyde is CCc1ccc(-c2ccc(C=O)c(=O)n2C)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-1-methyl-2-oxopyridine-3-carbaldehyde?
The InChIKey is YRXCIPMQUOKOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-3-11-4-6-12(7-5-11)14-9-8-13(10-17)15(18)16(14)2/h4-10H,3H2,1-2H3.
What are the key properties of 6-(4-ethylphenyl)-1-methyl-2-oxopyridine-3-carbaldehyde?
6-(4-ethylphenyl)-1-methyl-2-oxopyridine-3-carbaldehyde has a molecular weight of 241.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-1-methyl-2-oxopyridine-3-carbaldehyde is sourced from PubChem (CID 82520654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).