1-butyl-6-(4-chlorophenyl)-2-oxopyridine-3-carbaldehyde

C16H16ClNO2 — CID 82519268

IUPAC1-butyl-6-(4-chlorophenyl)-2-oxopyridine-3-carbaldehyde
SMILESCCCCn1c(-c2ccc(Cl)cc2)ccc(C=O)c1=O
InChIInChI=1S/C16H16ClNO2/c1-2-3-10-18-15(9-6-13(11-19)16(18)20)12-4-7-14(17)8-5-12/h4-9,11H,2-3,10H2,1H3
InChIKeyLHMJXEBCEGNMEN-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.78
Rot. Bonds5

About 1-butyl-6-(4-chlorophenyl)-2-oxopyridine-3-carbaldehyde

1-butyl-6-(4-chlorophenyl)-2-oxopyridine-3-carbaldehyde (PubChem CID 82519268) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 1-butyl-6-(4-chlorophenyl)-2-oxopyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-butyl-6-(4-chlorophenyl)-2-oxopyridine-3-carbaldehyde
PubChem CID82519268
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name1-butyl-6-(4-chlorophenyl)-2-oxopyridine-3-carbaldehyde
SMILESCCCCn1c(-c2ccc(Cl)cc2)ccc(C=O)c1=O
InChIInChI=1S/C16H16ClNO2/c1-2-3-10-18-15(9-6-13(11-19)16(18)20)12-4-7-14(17)8-5-12/h4-9,11H,2-3,10H2,1H3
InChIKeyLHMJXEBCEGNMEN-UHFFFAOYSA-N
XLogP3.78
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.78
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-chlorophenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde
CID 82519233
1-ethyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde
CID 82520438
6-(5-chloro-2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbaldehyde
CID 82517213
6-(4-chlorophenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one
CID 82519305
6-(4-chlorophenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one
CID 82519302
1-butyl-3-(4-chlorophenyl)pyrazole-4-carbaldehyde
CID 61271462
1-butyl-3-(chloromethyl)-6-(4-fluorophenyl)pyridin-2-one
CID 82519520
6-(4-ethylphenyl)-1-methyl-2-oxopyridine-3-carbaldehyde
CID 82520654
3-(butylaminomethyl)-6-(4-chlorophenyl)-1-methylpyridin-2-one
CID 82519366
1-methyl-6-(4-methylphenyl)-2-oxopyridine-3-carbaldehyde
CID 82520943
1-ethyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbaldehyde
CID 82517740
6-(4-chlorophenyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile
CID 82519215

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-(4-chlorophenyl)-2-oxopyridine-3-carbaldehyde?
The IUPAC name of 1-butyl-6-(4-chlorophenyl)-2-oxopyridine-3-carbaldehyde (CID 82519268) is 1-butyl-6-(4-chlorophenyl)-2-oxopyridine-3-carbaldehyde.
What is the SMILES notation for 1-butyl-6-(4-chlorophenyl)-2-oxopyridine-3-carbaldehyde?
The canonical SMILES for 1-butyl-6-(4-chlorophenyl)-2-oxopyridine-3-carbaldehyde is CCCCn1c(-c2ccc(Cl)cc2)ccc(C=O)c1=O.
What is the InChIKey of 1-butyl-6-(4-chlorophenyl)-2-oxopyridine-3-carbaldehyde?
The InChIKey is LHMJXEBCEGNMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-2-3-10-18-15(9-6-13(11-19)16(18)20)12-4-7-14(17)8-5-12/h4-9,11H,2-3,10H2,1H3.
What are the key properties of 1-butyl-6-(4-chlorophenyl)-2-oxopyridine-3-carbaldehyde?
1-butyl-6-(4-chlorophenyl)-2-oxopyridine-3-carbaldehyde has a molecular weight of 289.76 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-(4-chlorophenyl)-2-oxopyridine-3-carbaldehyde is sourced from PubChem (CID 82519268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).