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

C14H13NO2 — CID 82520943

IUPAC1-methyl-6-(4-methylphenyl)-2-oxopyridine-3-carbaldehyde
SMILESCc1ccc(-c2ccc(C=O)c(=O)n2C)cc1
InChIInChI=1S/C14H13NO2/c1-10-3-5-11(6-4-10)13-8-7-12(9-16)14(17)15(13)2/h3-9H,1-2H3
InChIKeyCFXGXOZQHNJRFJ-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.17
Rot. Bonds2

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

1-methyl-6-(4-methylphenyl)-2-oxopyridine-3-carbaldehyde (PubChem CID 82520943) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-methyl-6-(4-methylphenyl)-2-oxopyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-methyl-6-(4-methylphenyl)-2-oxopyridine-3-carbaldehyde
PubChem CID82520943
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name1-methyl-6-(4-methylphenyl)-2-oxopyridine-3-carbaldehyde
SMILESCc1ccc(-c2ccc(C=O)c(=O)n2C)cc1
InChIInChI=1S/C14H13NO2/c1-10-3-5-11(6-4-10)13-8-7-12(9-16)14(17)15(13)2/h3-9H,1-2H3
InChIKeyCFXGXOZQHNJRFJ-UHFFFAOYSA-N
XLogP2.17
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(4-ethylphenyl)-1-methyl-2-oxopyridine-3-carbaldehyde
CID 82520654
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-2-oxopyridine-3-carbaldehyde
CID 82517559
1-methyl-2-oxo-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde
CID 82518296
2-[1-methyl-5-(4-methylphenyl)pyrrol-2-yl]acetaldehyde
CID 57239785
6-(2,5-dichlorophenyl)-1-methyl-2-oxopyridine-3-carbaldehyde
CID 82519097
2-oxo-1-propan-2-yl-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde
CID 82520421
1-butyl-6-(4-chlorophenyl)-2-oxopyridine-3-carbaldehyde
CID 82519268
6-(4-chlorophenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde
CID 82519233
1-ethyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde
CID 82520438
3-[1-methyl-6-(4-methylphenyl)-2-oxo-3-pyridinyl]propanoyl chloride
CID 82520912
6-(2,4-dimethylphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde
CID 82520206
6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 82520973

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(4-methylphenyl)-2-oxopyridine-3-carbaldehyde?
The IUPAC name of 1-methyl-6-(4-methylphenyl)-2-oxopyridine-3-carbaldehyde (CID 82520943) is 1-methyl-6-(4-methylphenyl)-2-oxopyridine-3-carbaldehyde.
What is the SMILES notation for 1-methyl-6-(4-methylphenyl)-2-oxopyridine-3-carbaldehyde?
The canonical SMILES for 1-methyl-6-(4-methylphenyl)-2-oxopyridine-3-carbaldehyde is Cc1ccc(-c2ccc(C=O)c(=O)n2C)cc1.
What is the InChIKey of 1-methyl-6-(4-methylphenyl)-2-oxopyridine-3-carbaldehyde?
The InChIKey is CFXGXOZQHNJRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-10-3-5-11(6-4-10)13-8-7-12(9-16)14(17)15(13)2/h3-9H,1-2H3.
What are the key properties of 1-methyl-6-(4-methylphenyl)-2-oxopyridine-3-carbaldehyde?
1-methyl-6-(4-methylphenyl)-2-oxopyridine-3-carbaldehyde has a molecular weight of 227.26 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(4-methylphenyl)-2-oxopyridine-3-carbaldehyde is sourced from PubChem (CID 82520943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).