2-Amino-6-bromobenzonitrile

• CAS: 77326-62-6
• Catalog Number: ACM77326626
• Category: Bromine Series
• Molecular Formula: C₇H₅N₂Br

Custom Q&A

What is the molecular formula of 2-Amino-6-bromobenzonitrile?

The molecular formula of 2-Amino-6-bromobenzonitrile is C7H5BrN2.

What is the molecular weight of 2-Amino-6-bromobenzonitrile?

The molecular weight of 2-Amino-6-bromobenzonitrile is 197.03 g/mol.

What is the IUPAC name of 2-Amino-6-bromobenzonitrile?

The IUPAC name of 2-Amino-6-bromobenzonitrile is 2-amino-6-bromobenzonitrile.

What is the InChI of 2-Amino-6-bromobenzonitrile?

The InChI of 2-Amino-6-bromobenzonitrile is InChI=1S/C7H5BrN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,10H2.

What is the InChIKey of 2-Amino-6-bromobenzonitrile?

The InChIKey of 2-Amino-6-bromobenzonitrile is ZKZYTSGUONPOPF-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Amino-6-bromobenzonitrile?

The canonical SMILES of 2-Amino-6-bromobenzonitrile is C1=CC(=C(C(=C1)Br)C#N)N.

What is the CAS number of 2-Amino-6-bromobenzonitrile?

The CAS number of 2-Amino-6-bromobenzonitrile is 77326-62-6.

How many hydrogen bond donor counts are there in 2-Amino-6-bromobenzonitrile?

There is 1 hydrogen bond donor count in 2-Amino-6-bromobenzonitrile.

How many hydrogen bond acceptor counts are there in 2-Amino-6-bromobenzonitrile?

There are 2 hydrogen bond acceptor counts in 2-Amino-6-bromobenzonitrile.

How many rotatable bond counts are there in 2-Amino-6-bromobenzonitrile?

There are 0 rotatable bond counts in 2-Amino-6-bromobenzonitrile.

Synthetic Use

Upstream Synthesis Route 1

• 79603-02-4

• 77326-62-6

Reference: [1] Journal of Medicinal Chemistry, 1990, vol. 33, # 1, p. 434 - 444
[2] Patent: WO2009/87085, 2009, A2, . Location in patent: Page/Page column 80
[3] Patent: WO2012/103333, 2012, A1, . Location in patent: Page/Page column 58

Upstream Synthesis Route 2

• 35213-00-4

• 77326-62-6

Reference: [1] Journal of Medicinal Chemistry, 1990, vol. 33, # 1, p. 434 - 444

Upstream Synthesis Route 3

• 63365-23-1

• 77326-62-6

Reference: [1] Journal of Medicinal Chemistry, 1990, vol. 33, # 1, p. 434 - 444

Upstream Synthesis Route 4

• 77326-61-5

• 77326-62-6

Reference: [1]Journal of Medicinal Chemistry,1981,vol. 24,p. 742 - 748

Downstream Synthesis Route 1

• 77326-62-6
• 29671-92-9

• 119584-75-7

Reference: [1]Journal of Medicinal Chemistry,1990,vol. 33,p. 434 - 444

Downstream Synthesis Route 2

• 77326-62-6
• 4755-77-5

• 77326-30-8

Reference: [1]Journal of Medicinal Chemistry,1981,vol. 24,p. 742 - 748

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