Methyl 2-bromopyridine-4-carboxylate

• CAS: 26156-48-9
• Catalog Number: ACM26156489
• Category: Bromine Series

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is methyl 2-bromopyridine-4-carboxylate.

What is the molecular formula of the compound?

The molecular formula of the compound is C7H6BrNO2.

What is the molecular weight of the compound?

The molecular weight of the compound is 216.03 g/mol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C7H6BrNO2/c1-11-7(10)5-2-3-9-6(8)4-5/h2-4H,1H3.

What is the InChIKey of the compound?

The InChIKey of the compound is MULLTHQTADMZDM-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is COC(=O)C1=CC(=NC=C1)Br.

What is the CAS number of the compound?

The CAS number of the compound is 26156-48-9.

What is the European Community (EC) number of the compound?

The European Community (EC) number of the compound is 626-474-4.

What is the DSSTox Substance ID of the compound?

The DSSTox Substance ID of the compound is DTXSID00397265.

What is the XLogP3 value of the compound?

The XLogP3 value of the compound is 1.6.

Synthetic Use

Upstream Synthesis Route 1

• 67-56-1
• 66572-56-3

• 26156-48-9

Reference: [1] Patent: WO2016/138335, 2016, A1, . Location in patent: Paragraph 00319

Upstream Synthesis Route 2

• 66572-56-3
• 74-88-4

• 26156-48-9

Reference: [1] Polyhedron, 2016, vol. 118, p. 159 - 170
[2] Patent: US9139612, 2015, B2, . Location in patent: Page/Page column 153; 154; 159
[3] Patent: US2017/100390, 2017, A1, . Location in patent: Paragraph 1103
[4] Patent: WO2018/170465, 2018, A1, . Location in patent: Paragraph 247

Upstream Synthesis Route 3

• 186581-53-3
• 66572-56-3

• 26156-48-9

Reference: [1] Journal of the American Chemical Society, 1953, vol. 75, p. 1933,1934
[2] Journal of Medicinal Chemistry, 1997, vol. 40, # 18, p. 2866 - 2875
[3] Patent: US2004/102472, 2004, A1, . Location in patent: Page 35

Downstream Synthesis Route 1

• 26156-48-9

• 29849-15-8

Reference: [1]Journal of the American Chemical Society,1953,vol. 75,p. 1933,1934

Downstream Synthesis Route 2

• 26156-48-9

• 860369-93-3

Reference: [1]Journal of Organic Chemistry,2009,vol. 74,p. 7441 - 7448
[2]Journal of the American Chemical Society,1953,vol. 75,p. 1933,1934

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