5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid

C13H8Cl3NO3 — CID 2764481

IUPAC5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Cl)cn(Cc2ccc(Cl)cc2Cl)c1=O
InChIInChI=1S/C13H8Cl3NO3/c14-8-2-1-7(11(16)4-8)5-17-6-9(15)3-10(12(17)18)13(19)20/h1-4,6H,5H2,(H,19,20)
InChIKeyKQPVAFFLHGYNMP-UHFFFAOYSA-N
MW332.57 g/mol
LogP3.56
Rot. Bonds3

About 5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid

5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid (PubChem CID 2764481) has the molecular formula C13H8Cl3NO3 and a molecular weight of 332.57 g/mol. Its IUPAC name is 5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid
PubChem CID2764481
Molecular FormulaC13H8Cl3NO3
Molecular Weight332.57 g/mol
Exact Mass330.96
IUPAC Name5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Cl)cn(Cc2ccc(Cl)cc2Cl)c1=O
InChIInChI=1S/C13H8Cl3NO3/c14-8-2-1-7(11(16)4-8)5-17-6-9(15)3-10(12(17)18)13(19)20/h1-4,6H,5H2,(H,19,20)
InChIKeyKQPVAFFLHGYNMP-UHFFFAOYSA-N
XLogP3.56
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.57
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorobenzyl)-4-oxo-4H-quinolizine-3-carboxylic acid
CID 45279720
1-[(2,4-Dichlorophenyl)methyl]-1,6-dihydro-6-oxo-3-pyridinecarboxamide
CID 2764876
1-[(2-Chlorophenyl)methyl]-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 2764223
1-(2,4-dichlorobenzyl)-N,N-dimethyl-6-oxo-1,6-dihydro-3-pyridinecarboxamide
CID 2764864
1-(3,4-Dichlorobenzyl)-2-Oxo-1,2-Dihydro-3-Pyridinecarboxylic Acid
CID 2764018
5-Chloro-1-(2,4-dichlorobenzyl)-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid
CID 2764875
1-Benzyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 2764021
6-(2-Chlorophenyl)-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid
CID 11776853
5-(2,4-Dichlorobenzyl)-1,1-dimethyl-1h,5H-furo[3,4-c]pyridine-3,4-dione
CID 70683878
1-(2-Chlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid
CID 2763480
1-(2-Chlorobenzyl)-3-carboxy-4,6-dimethylpyrid-2-one
CID 20316353
1-(2-Chloro-6-fluorobenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid
CID 1482984

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid (CID 2764481) is 5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid is O=C(O)c1cc(Cl)cn(Cc2ccc(Cl)cc2Cl)c1=O.
What is the InChIKey of 5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid?
The InChIKey is KQPVAFFLHGYNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3NO3/c14-8-2-1-7(11(16)4-8)5-17-6-9(15)3-10(12(17)18)13(19)20/h1-4,6H,5H2,(H,19,20).
What are the key properties of 5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid?
5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 332.57 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 2764481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).