4H-pyran-2,3-dicarboxylic acid

C7H6O5 — CID 23450472

IUPAC4H-pyran-2,3-dicarboxylic acid
SMILESO=C(O)C1=C(C(=O)O)OC=CC1
InChIInChI=1S/C7H6O5/c8-6(9)4-2-1-3-12-5(4)7(10)11/h1,3H,2H2,(H,8,9)(H,10,11)
InChIKeyLNOJPCJTUYLVRC-UHFFFAOYSA-N
MW170.12 g/mol
LogP0.34
Rot. Bonds2

About 4H-pyran-2,3-dicarboxylic acid

4H-pyran-2,3-dicarboxylic acid (PubChem CID 23450472) has the molecular formula C7H6O5 and a molecular weight of 170.12 g/mol. Its IUPAC name is 4H-pyran-2,3-dicarboxylic acid.

Molecular Properties

Compound Name4H-pyran-2,3-dicarboxylic acid
PubChem CID23450472
Molecular FormulaC7H6O5
Molecular Weight170.12 g/mol
Exact Mass170.02
IUPAC Name4H-pyran-2,3-dicarboxylic acid
SMILESO=C(O)C1=C(C(=O)O)OC=CC1
InChIInChI=1S/C7H6O5/c8-6(9)4-2-1-3-12-5(4)7(10)11/h1,3H,2H2,(H,8,9)(H,10,11)
InChIKeyLNOJPCJTUYLVRC-UHFFFAOYSA-N
XLogP0.34
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4H-pyran-2,3-dicarboxylic 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

4-Oxopyran-2,3-dicarboxylic acid
CID 23450476
2H-pyran-5,6-dicarboxylic acid
CID 67685106
(Z)-2-hydroxy-3-prop-2-enylbut-2-enedioic acid
CID 88341988
(E)-2-hydroxy-3-prop-2-enylbut-2-enedioic acid
CID 88517678
5-Methyl-4-oxopyran-2-carboxylic acid
CID 88554614
3-Methyl-4-oxopyran-2-carboxylic acid
CID 89390568
4-hydroxy-3-methyl-4H-pyran-2-carboxylic acid
CID 90979057
4-Oxopyran-2,5-dicarboxylic acid
CID 102501611
3-Hydroxy-4-methylidenepyran-2-carboxylic acid
CID 147118279
3-Ethyl-4-oxopyran-2-carboxylic acid
CID 175196510

Frequently Asked Questions

What is the IUPAC name of 4H-pyran-2,3-dicarboxylic acid?
The IUPAC name of 4H-pyran-2,3-dicarboxylic acid (CID 23450472) is 4H-pyran-2,3-dicarboxylic acid.
What is the SMILES notation for 4H-pyran-2,3-dicarboxylic acid?
The canonical SMILES for 4H-pyran-2,3-dicarboxylic acid is O=C(O)C1=C(C(=O)O)OC=CC1.
What is the InChIKey of 4H-pyran-2,3-dicarboxylic acid?
The InChIKey is LNOJPCJTUYLVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O5/c8-6(9)4-2-1-3-12-5(4)7(10)11/h1,3H,2H2,(H,8,9)(H,10,11).
What are the key properties of 4H-pyran-2,3-dicarboxylic acid?
4H-pyran-2,3-dicarboxylic acid has a molecular weight of 170.12 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyran-2,3-dicarboxylic acid is sourced from PubChem (CID 23450472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).