3,6-difluoropyrazine-2-carbonitrile

• CAS: 356783-28-3
• Catalog Number: ACM356783283
• Category: Pyrazines
• Molecular Weight: 141.1
• Molecular Formula: C5HF2N3
• Appearance: Light yellow solid

Custom Q&A

What is the molecular formula of 3,6-difluoropyrazine-2-carbonitrile?

The molecular formula is C5HF2N3.

When was 3,6-difluoropyrazine-2-carbonitrile created?

It was created on 2007-12-05.

What is the molecular weight of 3,6-difluoropyrazine-2-carbonitrile?

The molecular weight is 141.08 g/mol.

What is the IUPAC name of 3,6-difluoropyrazine-2-carbonitrile?

The IUPAC name is 3,6-difluoropyrazine-2-carbonitrile.

How many hydrogen bond acceptor counts are there in 3,6-difluoropyrazine-2-carbonitrile?

There are 5 hydrogen bond acceptor counts.

What is the canonical SMILES representation of 3,6-difluoropyrazine-2-carbonitrile?

The canonical SMILES is C1=C(N=C(C(=N1)F)C#N)F.

Is 3,6-difluoropyrazine-2-carbonitrile a covalently-bonded unit?

Yes, it is a covalently-bonded unit.

What is the InChIKey of 3,6-difluoropyrazine-2-carbonitrile?

The InChIKey is ONECIHYIQJRNTP-UHFFFAOYSA-N.

How many rotatable bond counts are there in 3,6-difluoropyrazine-2-carbonitrile?

There are 0 rotatable bond counts.

What is the topological polar surface area of 3,6-difluoropyrazine-2-carbonitrile?

The topological polar surface area is 49.6 Å2.

Synthetic Use

Upstream Synthesis Route 1

• 356783-16-9

• 356783-28-3

Reference: [1]Patent: US2011/275817,2011,A1 .Location in patent: Page/Page column 5

Downstream Synthesis Route 1

• 356783-28-3

• 356783-29-4

Reference: [1]Guo, Qi; Xu, Mingshuo; Guo, Shuang; Zhu, Fuqiang; Xie, Yuanchao; Shen, Jingshan
[Chemical Papers, 2019, vol. 73, # 5, p. 1043 - 1051]

Downstream Synthesis Route 2

• 356783-28-3

• 356783-31-8

Reference: [1]Current Patent Assignee: FUJIFILM HOLDINGS CORP. - US2003/130213, 2003, A1

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