6-(2,5-dichlorophenyl)-1-methyl-2-oxopyridine-3-carbaldehyde

C13H9Cl2NO2 — CID 82519097

IUPAC6-(2,5-dichlorophenyl)-1-methyl-2-oxopyridine-3-carbaldehyde
SMILESCn1c(-c2cc(Cl)ccc2Cl)ccc(C=O)c1=O
InChIInChI=1S/C13H9Cl2NO2/c1-16-12(5-2-8(7-17)13(16)18)10-6-9(14)3-4-11(10)15/h2-7H,1H3
InChIKeyBZXSXQLAUNABLT-UHFFFAOYSA-N
MW282.13 g/mol
LogP3.17
Rot. Bonds2

About 6-(2,5-dichlorophenyl)-1-methyl-2-oxopyridine-3-carbaldehyde

6-(2,5-dichlorophenyl)-1-methyl-2-oxopyridine-3-carbaldehyde (PubChem CID 82519097) has the molecular formula C13H9Cl2NO2 and a molecular weight of 282.13 g/mol. Its IUPAC name is 6-(2,5-dichlorophenyl)-1-methyl-2-oxopyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(2,5-dichlorophenyl)-1-methyl-2-oxopyridine-3-carbaldehyde
PubChem CID82519097
Molecular FormulaC13H9Cl2NO2
Molecular Weight282.13 g/mol
Exact Mass281.00
IUPAC Name6-(2,5-dichlorophenyl)-1-methyl-2-oxopyridine-3-carbaldehyde
SMILESCn1c(-c2cc(Cl)ccc2Cl)ccc(C=O)c1=O
InChIInChI=1S/C13H9Cl2NO2/c1-16-12(5-2-8(7-17)13(16)18)10-6-9(14)3-4-11(10)15/h2-7H,1H3
InChIKeyBZXSXQLAUNABLT-UHFFFAOYSA-N
XLogP3.17
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.17
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-(2,5-dichlorophenyl)-1-methyl-3-(methylaminomethyl)pyridin-2-one
CID 82519096
6-(5-chloro-2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbaldehyde
CID 82517213
1-methyl-6-(4-methylphenyl)-2-oxopyridine-3-carbaldehyde
CID 82520943
2-(2,5-dichlorophenyl)benzaldehyde
CID 58037863
2-[[5-(2,5-dichlorophenyl)-1-methylpyrrol-2-yl]methylidene]propanedinitrile
CID 945892
4-chloro-2-(3-methyltriazol-4-yl)benzaldehyde
CID 114689657
4-(2,5-dichlorophenyl)-2-hydroxybenzaldehyde
CID 53220552
6-(4-ethylphenyl)-1-methyl-2-oxopyridine-3-carbaldehyde
CID 82520654
6-(3,4-dichlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde
CID 82519120
1-butyl-6-(4-chlorophenyl)-2-oxopyridine-3-carbaldehyde
CID 82519268
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-2-oxopyridine-3-carbaldehyde
CID 82517559
2-chloro-3-(2,5-dichlorophenyl)pyridine-4-carbaldehyde
CID 119012819

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dichlorophenyl)-1-methyl-2-oxopyridine-3-carbaldehyde?
The IUPAC name of 6-(2,5-dichlorophenyl)-1-methyl-2-oxopyridine-3-carbaldehyde (CID 82519097) is 6-(2,5-dichlorophenyl)-1-methyl-2-oxopyridine-3-carbaldehyde.
What is the SMILES notation for 6-(2,5-dichlorophenyl)-1-methyl-2-oxopyridine-3-carbaldehyde?
The canonical SMILES for 6-(2,5-dichlorophenyl)-1-methyl-2-oxopyridine-3-carbaldehyde is Cn1c(-c2cc(Cl)ccc2Cl)ccc(C=O)c1=O.
What is the InChIKey of 6-(2,5-dichlorophenyl)-1-methyl-2-oxopyridine-3-carbaldehyde?
The InChIKey is BZXSXQLAUNABLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO2/c1-16-12(5-2-8(7-17)13(16)18)10-6-9(14)3-4-11(10)15/h2-7H,1H3.
What are the key properties of 6-(2,5-dichlorophenyl)-1-methyl-2-oxopyridine-3-carbaldehyde?
6-(2,5-dichlorophenyl)-1-methyl-2-oxopyridine-3-carbaldehyde has a molecular weight of 282.13 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dichlorophenyl)-1-methyl-2-oxopyridine-3-carbaldehyde is sourced from PubChem (CID 82519097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).