5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid

C13H8Cl3NO3 — CID 2764875

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

About 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid

5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid (PubChem CID 2764875) 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]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid
PubChem CID2764875
Molecular FormulaC13H8Cl3NO3
Molecular Weight332.57 g/mol
Exact Mass330.96
IUPAC Name5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H8Cl3NO3/c14-9-2-1-7(10(15)4-9)5-17-6-8(13(19)20)3-11(16)12(17)18/h1-4,6H,5H2,(H,19,20)
InChIKeyDYYRSIHGNPWBMC-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

Analyze 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-((2,4-Dichlorophenyl)methyl)-N-ethyl-1,6-dihydro-6-oxo-3-pyridinecarboxamide
CID 2764863
1-(2,4-dichlorobenzyl)-4-hydroxy-3-[(E)-3-phenyl-2-propenyl]-2(1H)-pyridinone
CID 54693109
N-(2,4-Dichloro-benzyl)-6-hydroxy-nicotinamide
CID 7545432
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
2-Propynyl 5-chloro-1-(2,4-dichlorobenzyl)-6-oxo-1,6-dihydro-3-pyridinecarboxylate
CID 2764897
1-(2,6-dichlorobenzyl)-3-methylpyridin-2(1H)-one
CID 2805344
1-(2,6-dichlorobenzyl)pyridin-2(1H)-one
CID 1837198
Isopropyl 5-chloro-1-(2,4-dichlorobenzyl)-6-oxo-1,6-dihydro-3-pyridinecarboxylate
CID 2764895
1-[2-(Azepan-1-yl)-2-(4-chlorophenyl)ethyl]-6-oxopyridine-3-carboxylic acid
CID 110146031
1-(2-Chlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid
CID 2763480

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid (CID 2764875) is 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid is O=C(O)c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid?
The InChIKey is DYYRSIHGNPWBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3NO3/c14-9-2-1-7(10(15)4-9)5-17-6-8(13(19)20)3-11(16)12(17)18/h1-4,6H,5H2,(H,19,20).
What are the key properties of 5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid?
5-chloro-1-[(2,4-dichlorophenyl)methyl]-6-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]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 2764875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).