(2-Pyrrolidin-1-ylpyrimidin-5-yl)boronic acid

• CAS: 955374-13-7
• Catalog Number: ACM955374137
• Category: Other Products; Boronic Acids
• Molecular Formula: C₈H₁₂BN₃O₂

Custom Q&A

What is the molecular formula of (2-Pyrrolidin-1-ylpyrimidin-5-yl)boronic acid?

The molecular formula is C8H12BN3O2.

What is the molecular weight of (2-Pyrrolidin-1-ylpyrimidin-5-yl)boronic acid?

The molecular weight is 193.01 g/mol.

What is the IUPAC name of (2-Pyrrolidin-1-ylpyrimidin-5-yl)boronic acid?

The IUPAC name is (2-pyrrolidin-1-ylpyrimidin-5-yl)boronic acid.

What is the InChI code of (2-Pyrrolidin-1-ylpyrimidin-5-yl)boronic acid?

The InChI code is InChI=1S/C8H12BN3O2/c13-9(14)7-5-10-8(11-6-7)12-3-1-2-4-12/h5-6,13-14H,1-4H2.

What is the InChIKey of (2-Pyrrolidin-1-ylpyrimidin-5-yl)boronic acid?

The InChIKey is SNAOVFKQOOJCHK-UHFFFAOYSA-N.

What is the canonical SMILES notation of (2-Pyrrolidin-1-ylpyrimidin-5-yl)boronic acid?

The canonical SMILES notation is B(C1=CN=C(N=C1)N2CCCC2)(O)O.

What is the CAS number of (2-Pyrrolidin-1-ylpyrimidin-5-yl)boronic acid?

The CAS number is 955374-13-7.

What is the hydrogen bond donor count of (2-Pyrrolidin-1-ylpyrimidin-5-yl)boronic acid?

The hydrogen bond donor count is 2.

What is the hydrogen bond acceptor count of (2-Pyrrolidin-1-ylpyrimidin-5-yl)boronic acid?

The hydrogen bond acceptor count is 5.

Is (2-Pyrrolidin-1-ylpyrimidin-5-yl)boronic acid considered canonicalized?

Yes, (2-Pyrrolidin-1-ylpyrimidin-5-yl)boronic acid is considered canonicalized.

Synthetic Use

Downstream Synthesis Route 1

• 1435972-38-5
• 955374-13-7

• 1435972-28-3

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 3443 - 3447

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