Pyrazine-2,5-dicarboxylic acid

• CAS: 122-05-4
• Catalog Number: ACM122054
• Category: Other Products
• Molecular Weight: 168.11
• Molecular Formula: C₆H₄N₂O₄
• Synonyms: AKOS 90686;2,5-PYRAZINE-DIACID;2,5-PYRAZINE DICARBOXYLIC ACID;PYRAZINE-2,5-DICARBOXYLIC ACID;PYRAZINEDICARBOXYLIC-2,5 ACID
• Melting Point: 255-260°C lit.
• Safety Description: 26-36/37/39
• Supplemental Hazard Statements: H315-H319-H335
• Symbol: GHS07

Custom Q&A

What is the molecular formula of Pyrazine-2,5-dicarboxylic acid?

The molecular formula is C6H4N2O4.

When was Pyrazine-2,5-dicarboxylic acid first created and modified?

It was first created on 2005-03-26 and last modified on 2023-12-30.

What is the IUPAC name of Pyrazine-2,5-dicarboxylic acid?

The IUPAC name is pyrazine-2,5-dicarboxylic acid.

What is the InChIKey of Pyrazine-2,5-dicarboxylic acid?

The InChIKey is GMIOYJQLNFNGPR-UHFFFAOYSA-N.

What is the Canonical SMILES of Pyrazine-2,5-dicarboxylic acid?

The Canonical SMILES is C1=C(N=CC(=N1)C(=O)O)C(=O)O.

What is the molecular weight of Pyrazine-2,5-dicarboxylic acid?

The molecular weight is 168.11 g/mol.

How many hydrogen bond donor counts are there in Pyrazine-2,5-dicarboxylic acid?

There are 2 hydrogen bond donor counts.

What is the heavy atom count in Pyrazine-2,5-dicarboxylic acid?

The heavy atom count is 12.

Is Pyrazine-2,5-dicarboxylic acid canonicalized?

Yes, Pyrazine-2,5-dicarboxylic acid is canonicalized.

What is the topological polar surface area of Pyrazine-2,5-dicarboxylic acid?

The topological polar surface area is 100 Ų.

Synthetic Use

Upstream Synthesis Route 1

• 123-32-0

• 98-97-5
• 5521-55-1
• 122-05-4

Reference: [1] Chemistry of Heterocyclic Compounds (New York, NY, United States), 1995, vol. 31, # 1, p. 80 - 85

Upstream Synthesis Route 2

• 123-32-0

• 5521-55-1
• 122-05-4

Reference: [1] Chemistry of Heterocyclic Compounds (New York, NY, United States), 1995, vol. 31, # 1, p. 80 - 85[2] Khimiya Geterotsiklicheskikh Soedinenii, 1995, # 1, p. 90 - 96

Downstream Synthesis Route 1

• 122-05-4

• 290-37-9
• 98-97-5
• 15719-64-9

Reference: [1] Chemische Berichte, 1893, vol. 26, p. 724

Downstream Synthesis Route 2

• 67-56-1
• 122-05-4

• 13051-89-3

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 6455 - 6458

Downstream Synthesis Route 3

• 122-05-4
• 64-19-7

• 290-37-9

Reference: [1]Journal fur praktische Chemie (Leipzig 1954),1895,vol. <2> 51,p. 457

Downstream Synthesis Route 4

• 122-05-4

• 290-37-9
• 98-97-5
• 15719-64-9

Reference: [1]Chemische Berichte,1893,vol. 26,p. 724

* For details of the synthesis route, please refer to the original source to ensure accuracy.