1-(2,3-dimethylphenyl)-2-oxopyridine-3-carbaldehyde

C14H13NO2 — CID 96602655

IUPAC1-(2,3-dimethylphenyl)-2-oxopyridine-3-carbaldehyde
SMILESCc1cccc(-n2cccc(C=O)c2=O)c1C
InChIInChI=1S/C14H13NO2/c1-10-5-3-7-13(11(10)2)15-8-4-6-12(9-16)14(15)17/h3-9H,1-2H3
InChIKeyHQFSEEMGIRTVIA-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.27
Rot. Bonds2

About 1-(2,3-dimethylphenyl)-2-oxopyridine-3-carbaldehyde

1-(2,3-dimethylphenyl)-2-oxopyridine-3-carbaldehyde (PubChem CID 96602655) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-oxopyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-oxopyridine-3-carbaldehyde
PubChem CID96602655
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name1-(2,3-dimethylphenyl)-2-oxopyridine-3-carbaldehyde
SMILESCc1cccc(-n2cccc(C=O)c2=O)c1C
InChIInChI=1S/C14H13NO2/c1-10-5-3-7-13(11(10)2)15-8-4-6-12(9-16)14(15)17/h3-9H,1-2H3
InChIKeyHQFSEEMGIRTVIA-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
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

2,3-dimethylbenzaldehyde;hydrazine
CID 158628869
1-(2,6-dimethylphenyl)-2-sulfanylidenepyridine-3-carbaldehyde
CID 817897
1-(2,3-dimethylphenyl)-4-(2-methylpropyl)pyrazine-2,3-dione
CID 30566101
1-(4-fluorophenyl)-2-oxopyridine-3-carbaldehyde;methanamine
CID 143678321
1-but-2-ynyl-4-(2,3-dimethylphenyl)pyrazine-2,3-dione
CID 163351440
1-(2,3-dimethylphenyl)-2-sulfanylidenepyrimidin-4-one
CID 62404849
benzaldehyde;2,3-dimethylbenzaldehyde
CID 174844516
2-oxo-1-(1H-pyrazol-4-yl)pyridine-3-carbaldehyde
CID 96625453
2-(2,3-dimethylanilino)benzaldehyde
CID 15027376
2,6-dimethylbenzaldehyde
CID 159545887
3-(3-formyl-2-methylphenyl)-2-methylbenzaldehyde
CID 86188059
6-(2,3-dimethylphenyl)-1-methylpyrrolo[2,3-b]pyrrole
CID 157463126

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-oxopyridine-3-carbaldehyde?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-oxopyridine-3-carbaldehyde (CID 96602655) is 1-(2,3-dimethylphenyl)-2-oxopyridine-3-carbaldehyde.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-oxopyridine-3-carbaldehyde?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-oxopyridine-3-carbaldehyde is Cc1cccc(-n2cccc(C=O)c2=O)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-oxopyridine-3-carbaldehyde?
The InChIKey is HQFSEEMGIRTVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-10-5-3-7-13(11(10)2)15-8-4-6-12(9-16)14(15)17/h3-9H,1-2H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2-oxopyridine-3-carbaldehyde?
1-(2,3-dimethylphenyl)-2-oxopyridine-3-carbaldehyde has a molecular weight of 227.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-2-oxopyridine-3-carbaldehyde is sourced from PubChem (CID 96602655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).