5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-3-carbaldehyde

C12H7Cl2NO2 — CID 133092724

IUPAC5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c[nH]c(=O)c(-c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C12H7Cl2NO2/c13-9-2-1-3-10(14)11(9)8-4-7(6-16)5-15-12(8)17/h1-6H,(H,15,17)
InChIKeyKPPWAKNPQGDCTR-UHFFFAOYSA-N
MW268.10 g/mol
LogP3.16
Rot. Bonds2

About 5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-3-carbaldehyde

5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 133092724) has the molecular formula C12H7Cl2NO2 and a molecular weight of 268.10 g/mol. Its IUPAC name is 5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-3-carbaldehyde
PubChem CID133092724
Molecular FormulaC12H7Cl2NO2
Molecular Weight268.10 g/mol
Exact Mass266.99
IUPAC Name5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c[nH]c(=O)c(-c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C12H7Cl2NO2/c13-9-2-1-3-10(14)11(9)8-4-7(6-16)5-15-12(8)17/h1-6H,(H,15,17)
InChIKeyKPPWAKNPQGDCTR-UHFFFAOYSA-N
XLogP3.16
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.10
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-dichlorophenyl)-5-fluoro-1H-pyridin-2-one
CID 133092688
5-(2,6-dichlorophenyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 133092727
3-chloro-5-ethenyl-1H-pyridin-2-one
CID 74892681
3,5-bis(2,3-dichlorophenyl)-1H-pyridin-2-one
CID 133092457
5-fluoro-3-(2,3,6-trichlorophenyl)-1H-pyridin-2-one
CID 133092539
3,5-bis(2,3,4,5,6-pentachlorophenyl)-1H-pyridin-2-one
CID 133092089
5-(hydroxymethyl)-3-(2,3,6-trichlorophenyl)-1H-pyridin-2-one
CID 133092649
3-(2,6-dichlorophenyl)-5-fluorobenzaldehyde
CID 119005292
5-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid
CID 53223981
2-oxo-3-(2,4,5-trichlorophenyl)-1H-pyridine-4-carbaldehyde
CID 133091384
3-(3-chloro-2-methylphenyl)-4-methoxybenzaldehyde
CID 82039287
7-chloro-3-oxo-1,2-dihydroisoindole-5-carbaldehyde
CID 172589120

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-3-carbaldehyde (CID 133092724) is 5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-3-carbaldehyde is O=Cc1c[nH]c(=O)c(-c2c(Cl)cccc2Cl)c1.
What is the InChIKey of 5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is KPPWAKNPQGDCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO2/c13-9-2-1-3-10(14)11(9)8-4-7(6-16)5-15-12(8)17/h1-6H,(H,15,17).
What are the key properties of 5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-3-carbaldehyde?
5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-3-carbaldehyde has a molecular weight of 268.10 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 133092724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).