2,5-dihydropyridine-3,5-dicarboxylic acid

C7H7NO4 — CID 56629163

IUPAC2,5-dihydropyridine-3,5-dicarboxylic acid
SMILESO=C(O)C1=CC(C(=O)O)C=NC1
InChIInChI=1S/C7H7NO4/c9-6(10)4-1-5(7(11)12)3-8-2-4/h1-2,4H,3H2,(H,9,10)(H,11,12)
InChIKeyPQLYWPHFIZMBEL-UHFFFAOYSA-N
MW169.14 g/mol
LogP-0.22
Rot. Bonds2

About 2,5-dihydropyridine-3,5-dicarboxylic acid

2,5-dihydropyridine-3,5-dicarboxylic acid (PubChem CID 56629163) has the molecular formula C7H7NO4 and a molecular weight of 169.14 g/mol. Its IUPAC name is 2,5-dihydropyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2,5-dihydropyridine-3,5-dicarboxylic acid
PubChem CID56629163
Molecular FormulaC7H7NO4
Molecular Weight169.14 g/mol
Exact Mass169.04
IUPAC Name2,5-dihydropyridine-3,5-dicarboxylic acid
SMILESO=C(O)C1=CC(C(=O)O)C=NC1
InChIInChI=1S/C7H7NO4/c9-6(10)4-1-5(7(11)12)3-8-2-4/h1-2,4H,3H2,(H,9,10)(H,11,12)
InChIKeyPQLYWPHFIZMBEL-UHFFFAOYSA-N
XLogP-0.22
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydropyridine-3,5-dicarboxylic acid?
The IUPAC name of 2,5-dihydropyridine-3,5-dicarboxylic acid (CID 56629163) is 2,5-dihydropyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2,5-dihydropyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2,5-dihydropyridine-3,5-dicarboxylic acid is O=C(O)C1=CC(C(=O)O)C=NC1.
What is the InChIKey of 2,5-dihydropyridine-3,5-dicarboxylic acid?
The InChIKey is PQLYWPHFIZMBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4/c9-6(10)4-1-5(7(11)12)3-8-2-4/h1-2,4H,3H2,(H,9,10)(H,11,12).
What are the key properties of 2,5-dihydropyridine-3,5-dicarboxylic acid?
2,5-dihydropyridine-3,5-dicarboxylic acid has a molecular weight of 169.14 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydropyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 56629163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).