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

C17H18ClNO2 — CID 82519233

IUPAC6-(4-chlorophenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde
SMILESCC(C)CCn1c(-c2ccc(Cl)cc2)ccc(C=O)c1=O
InChIInChI=1S/C17H18ClNO2/c1-12(2)9-10-19-16(8-5-14(11-20)17(19)21)13-3-6-15(18)7-4-13/h3-8,11-12H,9-10H2,1-2H3
InChIKeyYHSCVVDAJANDIL-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.03
Rot. Bonds5

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

6-(4-chlorophenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde (PubChem CID 82519233) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(4-chlorophenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde
PubChem CID82519233
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name6-(4-chlorophenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde
SMILESCC(C)CCn1c(-c2ccc(Cl)cc2)ccc(C=O)c1=O
InChIInChI=1S/C17H18ClNO2/c1-12(2)9-10-19-16(8-5-14(11-20)17(19)21)13-3-6-15(18)7-4-13/h3-8,11-12H,9-10H2,1-2H3
InChIKeyYHSCVVDAJANDIL-UHFFFAOYSA-N
XLogP4.03
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.03
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

1-butyl-6-(4-chlorophenyl)-2-oxopyridine-3-carbaldehyde
CID 82519268
3-amino-6-(4-chlorophenyl)-1-(3-methylbutyl)pyridin-2-one
CID 82466944
1-ethyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde
CID 82520438
6-(2,4-dimethylphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde
CID 82520206
1-ethyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbaldehyde
CID 82517740
3-(chloromethyl)-1-(3-methylbutyl)-6-phenylpyridin-2-one
CID 82521073
6-(5-chloro-2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbaldehyde
CID 82517213
2-oxo-1-propan-2-yl-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde
CID 82520421
6-(4-chlorophenyl)-3-(hydroxymethyl)-1-(2-methylpropyl)pyridin-2-one
CID 82519259
2-[1-(3-methylbutyl)-2-oxo-6-phenyl-3-pyridinyl]acetic acid
CID 82521071
1-methyl-6-(4-methylphenyl)-2-oxopyridine-3-carbaldehyde
CID 82520943
6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 82099160

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde?
The IUPAC name of 6-(4-chlorophenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde (CID 82519233) is 6-(4-chlorophenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde.
What is the SMILES notation for 6-(4-chlorophenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde?
The canonical SMILES for 6-(4-chlorophenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde is CC(C)CCn1c(-c2ccc(Cl)cc2)ccc(C=O)c1=O.
What is the InChIKey of 6-(4-chlorophenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde?
The InChIKey is YHSCVVDAJANDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-12(2)9-10-19-16(8-5-14(11-20)17(19)21)13-3-6-15(18)7-4-13/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde?
6-(4-chlorophenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde has a molecular weight of 303.79 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde is sourced from PubChem (CID 82519233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).