sodium 5-carboxy-3-(3,5-dichlorophenyl)-2,6-dioxopyrimidine-4-carboxylate

C12H5Cl2N2NaO6 — CID 70541006

IUPACsodium 5-carboxy-3-(3,5-dichlorophenyl)-2,6-dioxopyrimidine-4-carboxylate
SMILESO=C(O)c1c(C(=O)[O-])n(-c2cc(Cl)cc(Cl)c2)c(=O)[nH]c1=O.[Na+]
InChIInChI=1S/C12H6Cl2N2O6.Na/c13-4-1-5(14)3-6(2-4)16-8(11(20)21)7(10(18)19)9(17)15-12(16)22;/h1-3H,(H,18,19)(H,20,21)(H,15,17,22);/q;+1/p-1
InChIKeySYEAMKGOHXLRJJ-UHFFFAOYSA-M
MW367.08 g/mol
LogP-3.10
Rot. Bonds3

About sodium 5-carboxy-3-(3,5-dichlorophenyl)-2,6-dioxopyrimidine-4-carboxylate

sodium 5-carboxy-3-(3,5-dichlorophenyl)-2,6-dioxopyrimidine-4-carboxylate (PubChem CID 70541006) has the molecular formula C12H5Cl2N2NaO6 and a molecular weight of 367.08 g/mol. Its IUPAC name is sodium 5-carboxy-3-(3,5-dichlorophenyl)-2,6-dioxopyrimidine-4-carboxylate.

Molecular Properties

Compound Namesodium 5-carboxy-3-(3,5-dichlorophenyl)-2,6-dioxopyrimidine-4-carboxylate
PubChem CID70541006
Molecular FormulaC12H5Cl2N2NaO6
Molecular Weight367.08 g/mol
Exact Mass365.94
IUPAC Namesodium 5-carboxy-3-(3,5-dichlorophenyl)-2,6-dioxopyrimidine-4-carboxylate
SMILESO=C(O)c1c(C(=O)[O-])n(-c2cc(Cl)cc(Cl)c2)c(=O)[nH]c1=O.[Na+]
InChIInChI=1S/C12H6Cl2N2O6.Na/c13-4-1-5(14)3-6(2-4)16-8(11(20)21)7(10(18)19)9(17)15-12(16)22;/h1-3H,(H,18,19)(H,20,21)(H,15,17,22);/q;+1/p-1
InChIKeySYEAMKGOHXLRJJ-UHFFFAOYSA-M
XLogP-3.10
TPSA132.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.08
LogP ≤ 5-3.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze sodium 5-carboxy-3-(3,5-dichlorophenyl)-2,6-dioxopyrimidine-4-carboxylate 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

potassium;3-(2,5-dichlorophenyl)-2,6-dioxopyrimidine-4,5-dicarboxylic acid;hydride
CID 173429271
sodium 5-carboxy-3-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 23664816
sodium;5-carboxy-3-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxylate;hydrate
CID 23664825
4-(3,5-dichlorophenyl)-1,2,4-triazolidine-3,5-dione
CID 18755009
5-benzyl-3-(3,5-dichlorophenyl)-4-hydroxy-1H-imidazol-2-one
CID 91427443
4-amino-6-chloro-2-oxo-1H-pyridine-3-carboxylic acid
CID 133059323
3-(3-chloro-5-fluorophenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 107366909
1-(3-chloro-4-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide
CID 66522838
6-hydroxy-1-phenyl-5-[(2,4,6-trichlorophenyl)iminomethyl]pyrimidine-2,4-dione
CID 4124584
6-hydroxy-5-methyl-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione
CID 112599157
5-fluoro-6-hydroxy-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione
CID 112599156
2-[[1-(3-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate
CID 135830794

Frequently Asked Questions

What is the IUPAC name of sodium 5-carboxy-3-(3,5-dichlorophenyl)-2,6-dioxopyrimidine-4-carboxylate?
The IUPAC name of sodium 5-carboxy-3-(3,5-dichlorophenyl)-2,6-dioxopyrimidine-4-carboxylate (CID 70541006) is sodium 5-carboxy-3-(3,5-dichlorophenyl)-2,6-dioxopyrimidine-4-carboxylate.
What is the SMILES notation for sodium 5-carboxy-3-(3,5-dichlorophenyl)-2,6-dioxopyrimidine-4-carboxylate?
The canonical SMILES for sodium 5-carboxy-3-(3,5-dichlorophenyl)-2,6-dioxopyrimidine-4-carboxylate is O=C(O)c1c(C(=O)[O-])n(-c2cc(Cl)cc(Cl)c2)c(=O)[nH]c1=O.[Na+].
What is the InChIKey of sodium 5-carboxy-3-(3,5-dichlorophenyl)-2,6-dioxopyrimidine-4-carboxylate?
The InChIKey is SYEAMKGOHXLRJJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H6Cl2N2O6.Na/c13-4-1-5(14)3-6(2-4)16-8(11(20)21)7(10(18)19)9(17)15-12(16)22;/h1-3H,(H,18,19)(H,20,21)(H,15,17,22);/q;+1/p-1.
What are the key properties of sodium 5-carboxy-3-(3,5-dichlorophenyl)-2,6-dioxopyrimidine-4-carboxylate?
sodium 5-carboxy-3-(3,5-dichlorophenyl)-2,6-dioxopyrimidine-4-carboxylate has a molecular weight of 367.08 g/mol, XLogP of -3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-carboxy-3-(3,5-dichlorophenyl)-2,6-dioxopyrimidine-4-carboxylate is sourced from PubChem (CID 70541006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).