4-oxopyran-2,5-dicarboxylic acid

C7H4O6 — CID 102501611

IUPAC4-oxopyran-2,5-dicarboxylic acid
SMILESO=C(O)c1cc(=O)c(C(=O)O)co1
InChIInChI=1S/C7H4O6/c8-4-1-5(7(11)12)13-2-3(4)6(9)10/h1-2H,(H,9,10)(H,11,12)
InChIKeyAPGFKLORSCOLLP-UHFFFAOYSA-N
MW184.10 g/mol
LogP0.04
Rot. Bonds2

About 4-oxopyran-2,5-dicarboxylic acid

4-oxopyran-2,5-dicarboxylic acid (PubChem CID 102501611) has the molecular formula C7H4O6 and a molecular weight of 184.10 g/mol. Its IUPAC name is 4-oxopyran-2,5-dicarboxylic acid.

Molecular Properties

Compound Name4-oxopyran-2,5-dicarboxylic acid
PubChem CID102501611
Molecular FormulaC7H4O6
Molecular Weight184.10 g/mol
Exact Mass184.00
IUPAC Name4-oxopyran-2,5-dicarboxylic acid
SMILESO=C(O)c1cc(=O)c(C(=O)O)co1
InChIInChI=1S/C7H4O6/c8-4-1-5(7(11)12)13-2-3(4)6(9)10/h1-2H,(H,9,10)(H,11,12)
InChIKeyAPGFKLORSCOLLP-UHFFFAOYSA-N
XLogP0.04
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.10
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-2-methyl-4-oxo-4H-pyran-3-carboxylic acid
CID 20463660
2-BENZOYL-5-METHOXYBENZOQUINONE_met018
CID 171115130
2-Methoxy-3,6-dioxo-cyclohexa-1,4-dienecarboxylic acid
CID 129850787
4-(2-Fluoroethoxy)-3,6-dioxocyclohexa-1,4-diene-1-carboxylic acid
CID 146469308
5-Hydroxy-6-(hydroxymethyl)pyran-2,3,4-trione
CID 168678189
3,4-Dioxo-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid
CID 15560184
(2S)-3,4-dioxopyran-2,6-dicarboxylic acid
CID 163083688
4-Oxo-2,3-dihydropyran-6-carboxylic acid
CID 21543015
4H-pyran-2,3-dicarboxylic acid
CID 23450472
4-Oxopyran-2,3-dicarboxylic acid
CID 23450476
3-oxo-4H-pyran-2,6-dicarboxylic acid
CID 67529874
5-Methyl-4-oxopyran-2-carboxylic acid
CID 88554614

Frequently Asked Questions

What is the IUPAC name of 4-oxopyran-2,5-dicarboxylic acid?
The IUPAC name of 4-oxopyran-2,5-dicarboxylic acid (CID 102501611) is 4-oxopyran-2,5-dicarboxylic acid.
What is the SMILES notation for 4-oxopyran-2,5-dicarboxylic acid?
The canonical SMILES for 4-oxopyran-2,5-dicarboxylic acid is O=C(O)c1cc(=O)c(C(=O)O)co1.
What is the InChIKey of 4-oxopyran-2,5-dicarboxylic acid?
The InChIKey is APGFKLORSCOLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4O6/c8-4-1-5(7(11)12)13-2-3(4)6(9)10/h1-2H,(H,9,10)(H,11,12).
What are the key properties of 4-oxopyran-2,5-dicarboxylic acid?
4-oxopyran-2,5-dicarboxylic acid has a molecular weight of 184.10 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxopyran-2,5-dicarboxylic acid is sourced from PubChem (CID 102501611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).