3-chloropyrazine-2-carbonitrile

• CAS: 55557-52-3
• Catalog Number: ACM55557523
• Category: Pyrazines
• Molecular Weight: 139.5
• Molecular Formula: C5H2ClN3
• Appearance: White powder

Custom Q&A

What is the molecular formula of 3-chloropyrazine-2-carbonitrile?

The molecular formula of 3-chloropyrazine-2-carbonitrile is C5H2ClN3.

When was 3-chloropyrazine-2-carbonitrile first created and modified in PubChem?

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

What is the IUPAC name of 3-chloropyrazine-2-carbonitrile?

The IUPAC name of 3-chloropyrazine-2-carbonitrile is 3-chloropyrazine-2-carbonitrile.

What is the InChI of 3-chloropyrazine-2-carbonitrile?

The InChI of 3-chloropyrazine-2-carbonitrile is InChI=1S/C5H2ClN3/c6-5-4(3-7)8-1-2-9-5/h1-2H.

How is the Canonical SMILES of 3-chloropyrazine-2-carbonitrile represented?

The Canonical SMILES of 3-chloropyrazine-2-carbonitrile is C1=CN=C(C(=N1)C#N)Cl.

What is the molecular weight of 3-chloropyrazine-2-carbonitrile?

The molecular weight of 3-chloropyrazine-2-carbonitrile is 139.54 g/mol.

How many hydrogen bond acceptor counts does 3-chloropyrazine-2-carbonitrile have?

3-chloropyrazine-2-carbonitrile has 3 hydrogen bond acceptor counts.

What is the topological polar surface area of 3-chloropyrazine-2-carbonitrile?

The topological polar surface area of 3-chloropyrazine-2-carbonitrile is 49.6 Ų.

Does 3-chloropyrazine-2-carbonitrile contain any defined atom stereocenters?

No, 3-chloropyrazine-2-carbonitrile does not contain any defined atom stereocenters.

Is the compound canonicalized for 3-chloropyrazine-2-carbonitrile in PubChem?

Yes, the compound is canonicalized for 3-chloropyrazine-2-carbonitrile in PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 768-36-5

• 19847-12-2
• 6863-74-7
• 36070-75-4
• 55557-52-3

Reference: [1] Journal of Chemical Research, Miniprint, 1984, # 10, p. 2860 - 2875

Upstream Synthesis Route 2

• 25594-31-4

• 19847-12-2
• 6863-74-7
• 36070-75-4
• 55557-52-3

Reference: [1] Journal of Chemical Research, Miniprint, 1984, # 10, p. 2860 - 2875

Downstream Synthesis Route 1

• 55557-52-3

• 25911-65-3
• 75018-05-2

Reference: [1] Journal of Heterocyclic Chemistry, 1989, vol. 26, p. 817 - 819

Downstream Synthesis Route 2

• 623-51-8
• 55557-52-3

• 56881-21-1

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2012,vol. 22,p. 3643 - 3647

Downstream Synthesis Route 3

• 67-56-1
• 55557-52-3

• 25911-65-3
• 75018-05-2

Reference: [1]Sato, Nobuhiro; Shimomura, Yuji; Ohwaki, Yoshie; Takeuchi, Ryo
[Journal of the Chemical Society. Perkin transactions I, 1991, # 11, p. 2877 - 2882]

Downstream Synthesis Route 4

• 55557-52-3

• 25911-65-3
• 75018-05-2

Reference: [1]Journal of Heterocyclic Chemistry,1989,vol. 26,p. 817 - 819

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