6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbaldehyde

C13H11NO3 — CID 82518162

IUPAC6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbaldehyde
SMILESCOc1ccc(-c2ccc(C=O)c(=O)[nH]2)cc1
InChIInChI=1S/C13H11NO3/c1-17-11-5-2-9(3-6-11)12-7-4-10(8-15)13(16)14-12/h2-8H,1H3,(H,14,16)
InChIKeyMMASKMFFUBIOBU-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.86
Rot. Bonds3

About 6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbaldehyde

6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 82518162) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbaldehyde
PubChem CID82518162
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Name6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbaldehyde
SMILESCOc1ccc(-c2ccc(C=O)c(=O)[nH]2)cc1
InChIInChI=1S/C13H11NO3/c1-17-11-5-2-9(3-6-11)12-7-4-10(8-15)13(16)14-12/h2-8H,1H3,(H,14,16)
InChIKeyMMASKMFFUBIOBU-UHFFFAOYSA-N
XLogP1.86
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 82520973
6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 82519690
2-oxo-6-phenyl-1H-pyridine-3-carbaldehyde
CID 82521365
3-amino-6-(4-methoxyphenyl)-1H-pyridin-2-one
CID 82098987
3-(ethylaminomethyl)-6-(4-methoxyphenyl)-1H-pyridin-2-one
CID 82518160
3-[(2-methoxyethylamino)methyl]-6-(4-methoxyphenyl)-1H-pyridin-2-one
CID 82518152
3,7-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione
CID 126694462
2-ethyl-5-(4-methoxyphenyl)-1H-pyrrole
CID 131698353
5-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 15687843
N-ethyl-6-(4-methoxyphenyl)-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125491866
3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione
CID 126682549
3-(4-methoxyphenyl)-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 143881274

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbaldehyde (CID 82518162) is 6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbaldehyde is COc1ccc(-c2ccc(C=O)c(=O)[nH]2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is MMASKMFFUBIOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-17-11-5-2-9(3-6-11)12-7-4-10(8-15)13(16)14-12/h2-8H,1H3,(H,14,16).
What are the key properties of 6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbaldehyde?
6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbaldehyde has a molecular weight of 229.23 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 82518162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).