5-chloro-2,4-dioxopyrimidine-1-carboxylic acid

C5H3ClN2O4 — CID 91249799

IUPAC5-chloro-2,4-dioxopyrimidine-1-carboxylic acid
SMILESO=C(O)n1cc(Cl)c(=O)[nH]c1=O
InChIInChI=1S/C5H3ClN2O4/c6-2-1-8(5(11)12)4(10)7-3(2)9/h1H,(H,11,12)(H,7,9,10)
InChIKeyGFBXEYAKHCHCJX-UHFFFAOYSA-N
MW190.54 g/mol
LogP-0.28
Rot. Bonds

About 5-chloro-2,4-dioxopyrimidine-1-carboxylic acid

5-chloro-2,4-dioxopyrimidine-1-carboxylic acid (PubChem CID 91249799) has the molecular formula C5H3ClN2O4 and a molecular weight of 190.54 g/mol. Its IUPAC name is 5-chloro-2,4-dioxopyrimidine-1-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2,4-dioxopyrimidine-1-carboxylic acid
PubChem CID91249799
Molecular FormulaC5H3ClN2O4
Molecular Weight190.54 g/mol
Exact Mass189.98
IUPAC Name5-chloro-2,4-dioxopyrimidine-1-carboxylic acid
SMILESO=C(O)n1cc(Cl)c(=O)[nH]c1=O
InChIInChI=1S/C5H3ClN2O4/c6-2-1-8(5(11)12)4(10)7-3(2)9/h1H,(H,11,12)(H,7,9,10)
InChIKeyGFBXEYAKHCHCJX-UHFFFAOYSA-N
XLogP-0.28
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.54
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-dioxopyrimidine-1-carboxylic acid?
The IUPAC name of 5-chloro-2,4-dioxopyrimidine-1-carboxylic acid (CID 91249799) is 5-chloro-2,4-dioxopyrimidine-1-carboxylic acid.
What is the SMILES notation for 5-chloro-2,4-dioxopyrimidine-1-carboxylic acid?
The canonical SMILES for 5-chloro-2,4-dioxopyrimidine-1-carboxylic acid is O=C(O)n1cc(Cl)c(=O)[nH]c1=O.
What is the InChIKey of 5-chloro-2,4-dioxopyrimidine-1-carboxylic acid?
The InChIKey is GFBXEYAKHCHCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN2O4/c6-2-1-8(5(11)12)4(10)7-3(2)9/h1H,(H,11,12)(H,7,9,10).
What are the key properties of 5-chloro-2,4-dioxopyrimidine-1-carboxylic acid?
5-chloro-2,4-dioxopyrimidine-1-carboxylic acid has a molecular weight of 190.54 g/mol, XLogP of -0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-dioxopyrimidine-1-carboxylic acid is sourced from PubChem (CID 91249799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).