methyl 6-(trifluoromethyl)pyrazine-2-carboxylate

• CAS: 1644548-81-1
• Catalog Number: ACM1644548811
• Category: Pyrazines
• Molecular Weight: 206.1
• Molecular Formula: C7H5F3N2O2
• Appearance: Yellow Oil

Custom Q&A

What is the molecular formula of methyl 6-(trifluoromethyl)pyrazine-2-carboxylate?

The molecular formula of methyl 6-(trifluoromethyl)pyrazine-2-carboxylate is C7H5F3N2O2.

When was methyl 6-(trifluoromethyl)pyrazine-2-carboxylate created and last modified?

It was created on 2016-02-23 and last modified on 2023-12-30.

What is the IUPAC name of methyl 6-(trifluoromethyl)pyrazine-2-carboxylate?

The IUPAC name is methyl 6-(trifluoromethyl)pyrazine-2-carboxylate.

What is the InChI of methyl 6-(trifluoromethyl)pyrazine-2-carboxylate?

The InChI is InChI=1S/C7H5F3N2O2/c1-14-6(13)4-2-11-3-5(12-4)7(8,9)10/h2-3H,1H3.

What is the Canonical SMILES of methyl 6-(trifluoromethyl)pyrazine-2-carboxylate?

The Canonical SMILES is COC(=O)C1=CN=CC(=N1)C(F)(F)F.

What is the molecular weight of methyl 6-(trifluoromethyl)pyrazine-2-carboxylate?

The molecular weight is 206.12 g/mol.

How many hydrogen bond acceptors are in methyl 6-(trifluoromethyl)pyrazine-2-carboxylate?

There are 7 hydrogen bond acceptors.

What is the XLogP3 value of methyl 6-(trifluoromethyl)pyrazine-2-carboxylate?

The XLogP3 value is 0.6.

What is the topological polar surface area of methyl 6-(trifluoromethyl)pyrazine-2-carboxylate?

The topological polar surface area is 52.1 Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.

Synthetic Use

Downstream Synthesis Route 1

• 1644548-81-1

• 1060812-74-9

Reference: [1]Current Patent Assignee: KYMERA THERAPEUTICS INC - WO2022/147465, 2022, A1
Location in patent: Paragraph 00797; 002935; 002938; 002939
[2]Current Patent Assignee: KYMERA THERAPEUTICS INC - WO2022/147465, 2022, A1
Location in patent: Paragraph 00797; 002935; 002938; 002939
[3]Current Patent Assignee: KYMERA THERAPEUTICS INC - WO2020/264499, 2020, A1
Location in patent: Paragraph 00920; 003005; 003008-003009
[4]Current Patent Assignee: KYMERA THERAPEUTICS INC - WO2021/127283, 2021, A2
Location in patent: Paragraph 00329; 00332-00333

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