1,4-dihydropyridine-2,6-dicarboxylic acid

C7H7NO4 — CID 25200490

IUPAC1,4-dihydropyridine-2,6-dicarboxylic acid
SMILESO=C(O)C1=CCC=C(C(=O)O)N1
InChIInChI=1S/C7H7NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h2-3,8H,1H2,(H,9,10)(H,11,12)
InChIKeyASVRZUOBVUEPHE-UHFFFAOYSA-N
MW169.14 g/mol
LogP-0.08
Rot. Bonds2

About 1,4-dihydropyridine-2,6-dicarboxylic acid

1,4-dihydropyridine-2,6-dicarboxylic acid (PubChem CID 25200490) has the molecular formula C7H7NO4 and a molecular weight of 169.14 g/mol. Its IUPAC name is 1,4-dihydropyridine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name1,4-dihydropyridine-2,6-dicarboxylic acid
PubChem CID25200490
Molecular FormulaC7H7NO4
Molecular Weight169.14 g/mol
Exact Mass169.04
IUPAC Name1,4-dihydropyridine-2,6-dicarboxylic acid
SMILESO=C(O)C1=CCC=C(C(=O)O)N1
InChIInChI=1S/C7H7NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h2-3,8H,1H2,(H,9,10)(H,11,12)
InChIKeyASVRZUOBVUEPHE-UHFFFAOYSA-N
XLogP-0.08
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Chelidamic Acid
CID 8743
4-Oxo-1,4-dihydropyridine-2,6-dicarboxylic acid hydrate
CID 12302905
6-Chloro-4-hydroxy-2-pyridinecarboxylic acid
CID 72212276
4-Sulfanylpyridine-2,6-dicarboxylic acid
CID 129925430
6-Bromo-4-hydroxypicolinic acid
CID 72215574
Chelidamate
CID 5250420
6-Methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid
CID 71299974
Chelidamic acid methanol monosolvate
CID 139061373
4-Hydroxy-6-(trifluoromethyl)picolinic acid
CID 72213990
6-Fluoro-4-hydroxypicolinic acid
CID 72215565
(Z)-2-(methylamino)pent-2-enoic acid
CID 17787679
6-(hydroperoxymethyl)-4-oxo-1H-pyridine-2-carboxylic acid
CID 53991433

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydropyridine-2,6-dicarboxylic acid?
The IUPAC name of 1,4-dihydropyridine-2,6-dicarboxylic acid (CID 25200490) is 1,4-dihydropyridine-2,6-dicarboxylic acid.
What is the SMILES notation for 1,4-dihydropyridine-2,6-dicarboxylic acid?
The canonical SMILES for 1,4-dihydropyridine-2,6-dicarboxylic acid is O=C(O)C1=CCC=C(C(=O)O)N1.
What is the InChIKey of 1,4-dihydropyridine-2,6-dicarboxylic acid?
The InChIKey is ASVRZUOBVUEPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h2-3,8H,1H2,(H,9,10)(H,11,12).
What are the key properties of 1,4-dihydropyridine-2,6-dicarboxylic acid?
1,4-dihydropyridine-2,6-dicarboxylic acid has a molecular weight of 169.14 g/mol, XLogP of -0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydropyridine-2,6-dicarboxylic acid is sourced from PubChem (CID 25200490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).