potassium;3-(2,5-dichlorophenyl)-2,6-dioxopyrimidine-4,5-dicarboxylic acid;hydride

C12H7Cl2KN2O6 — CID 173429271

IUPACpotassium;3-(2,5-dichlorophenyl)-2,6-dioxopyrimidine-4,5-dicarboxylic acid;hydride
SMILESO=C(O)c1c(C(=O)O)n(-c2cc(Cl)ccc2Cl)c(=O)[nH]c1=O.[H-].[K+]
InChIInChI=1S/C12H6Cl2N2O6.K.H/c13-4-1-2-5(14)6(3-4)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;-1
InChIKeyFEWZVELYFSAYJN-UHFFFAOYSA-N
MW385.20 g/mol
LogP-1.65
Rot. Bonds3

About potassium;3-(2,5-dichlorophenyl)-2,6-dioxopyrimidine-4,5-dicarboxylic acid;hydride

potassium;3-(2,5-dichlorophenyl)-2,6-dioxopyrimidine-4,5-dicarboxylic acid;hydride (PubChem CID 173429271) has the molecular formula C12H7Cl2KN2O6 and a molecular weight of 385.20 g/mol. Its IUPAC name is potassium;3-(2,5-dichlorophenyl)-2,6-dioxopyrimidine-4,5-dicarboxylic acid;hydride.

Molecular Properties

Compound Namepotassium;3-(2,5-dichlorophenyl)-2,6-dioxopyrimidine-4,5-dicarboxylic acid;hydride
PubChem CID173429271
Molecular FormulaC12H7Cl2KN2O6
Molecular Weight385.20 g/mol
Exact Mass383.93
IUPAC Namepotassium;3-(2,5-dichlorophenyl)-2,6-dioxopyrimidine-4,5-dicarboxylic acid;hydride
SMILESO=C(O)c1c(C(=O)O)n(-c2cc(Cl)ccc2Cl)c(=O)[nH]c1=O.[H-].[K+]
InChIInChI=1S/C12H6Cl2N2O6.K.H/c13-4-1-2-5(14)6(3-4)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;-1
InChIKeyFEWZVELYFSAYJN-UHFFFAOYSA-N
XLogP-1.65
TPSA129.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.20
LogP ≤ 5-1.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of potassium;3-(2,5-dichlorophenyl)-2,6-dioxopyrimidine-4,5-dicarboxylic acid;hydride?
The IUPAC name of potassium;3-(2,5-dichlorophenyl)-2,6-dioxopyrimidine-4,5-dicarboxylic acid;hydride (CID 173429271) is potassium;3-(2,5-dichlorophenyl)-2,6-dioxopyrimidine-4,5-dicarboxylic acid;hydride.
What is the SMILES notation for potassium;3-(2,5-dichlorophenyl)-2,6-dioxopyrimidine-4,5-dicarboxylic acid;hydride?
The canonical SMILES for potassium;3-(2,5-dichlorophenyl)-2,6-dioxopyrimidine-4,5-dicarboxylic acid;hydride is O=C(O)c1c(C(=O)O)n(-c2cc(Cl)ccc2Cl)c(=O)[nH]c1=O.[H-].[K+].
What is the InChIKey of potassium;3-(2,5-dichlorophenyl)-2,6-dioxopyrimidine-4,5-dicarboxylic acid;hydride?
The InChIKey is FEWZVELYFSAYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2O6.K.H/c13-4-1-2-5(14)6(3-4)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;-1.
What are the key properties of potassium;3-(2,5-dichlorophenyl)-2,6-dioxopyrimidine-4,5-dicarboxylic acid;hydride?
potassium;3-(2,5-dichlorophenyl)-2,6-dioxopyrimidine-4,5-dicarboxylic acid;hydride has a molecular weight of 385.20 g/mol, XLogP of -1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;3-(2,5-dichlorophenyl)-2,6-dioxopyrimidine-4,5-dicarboxylic acid;hydride is sourced from PubChem (CID 173429271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).