methyl 5-formylpyrazine-2-carboxylate

• CAS: 710322-57-9
• Catalog Number: ACM710322579
• Category: Pyrazines
• Molecular Weight: 166.1
• Molecular Formula: C7H6N2O3
• Appearance: Brown solid

Custom Q&A

What is the molecular formula of methyl 5-formylpyrazine-2-carboxylate?

The molecular formula of methyl 5-formylpyrazine-2-carboxylate is C7H6N2O3.

What is the molecular weight of methyl 5-formylpyrazine-2-carboxylate?

The molecular weight of methyl 5-formylpyrazine-2-carboxylate is 166.13 g/mol.

When was methyl 5-formylpyrazine-2-carboxylate first created according to the reference?

Methyl 5-formylpyrazine-2-carboxylate was first created on December 22, 2009.

What is the InChIKey of methyl 5-formylpyrazine-2-carboxylate?

The InChIKey of methyl 5-formylpyrazine-2-carboxylate is KNAAFIKYVYERNG-UHFFFAOYSA-N.

What is the Canonical SMILES representation of methyl 5-formylpyrazine-2-carboxylate?

The Canonical SMILES representation of methyl 5-formylpyrazine-2-carboxylate is COC(=O)C1=NC=C(N=C1)C=O.

What is the XLogP3 value of methyl 5-formylpyrazine-2-carboxylate?

The XLogP3 value of methyl 5-formylpyrazine-2-carboxylate is -0.7.

How many hydrogen bond acceptor counts does methyl 5-formylpyrazine-2-carboxylate have?

Methyl 5-formylpyrazine-2-carboxylate has 5 hydrogen bond acceptor counts.

What is the heavy atom count of methyl 5-formylpyrazine-2-carboxylate?

The heavy atom count of methyl 5-formylpyrazine-2-carboxylate is 12.

Does methyl 5-formylpyrazine-2-carboxylate have any defined atom stereocenter count?

No, methyl 5-formylpyrazine-2-carboxylate does not have any defined atom stereocenter count.

Is methyl 5-formylpyrazine-2-carboxylate considered a canonical covalently-bonded unit according to the reference?

Yes, methyl 5-formylpyrazine-2-carboxylate is considered a canonical covalently-bonded unit.

Synthetic Use

Upstream Synthesis Route 1

• 710322-24-0

• 710322-57-9

Reference: [1] Patent: WO2004/52869, 2004, A1, . Location in patent: Page 140

Upstream Synthesis Route 2

• 64-17-5
• 866327-72-2

• 710322-57-9

Reference: [1] Patent: US2005/222151, 2005, A1, . Location in patent: Page/Page column 19-20

Upstream Synthesis Route 3

• 41110-33-2

• 710322-57-9

Reference: [1] European Journal of Medicinal Chemistry, 2009, vol. 44, # 11, p. 4413 - 4425

Upstream Synthesis Route 4

• 710322-24-0

• 710322-57-9

Reference: [1]Patent: WO2004/52869,2004,A1 .Location in patent: Page 140

Downstream Synthesis Route 1

• 710322-57-9
• 107-21-1

• 710322-58-0

Reference: [1]Patent: WO2004/52869,2004,A1 .Location in patent: Page 140 - 141

Downstream Synthesis Route 2

• 110-89-4
• 710322-57-9

• 866327-73-3

Reference: [1]Patent: US2005/222151,2005,A1 .Location in patent: Page/Page column 20

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