104096-15-3 | 3-Phenylisonicotinic acid

Packsize	Purity	Availability	Price	Discounted Price
100mg	95%	in stock	$352.00	$246.00
500mg	95%	in stock	$556.00	$389.00
1g	95%	in stock	$1,019.00	$713.00

Description

• Catalog Number: AD68574
• Chemical Name: 3-Phenylisonicotinic acid
• CAS Number: 104096-15-3
• Molecular Formula: C12H9NO2
• Molecular Weight: 199.2054
• MDL Number: MFCD04114253
• SMILES: OC(=O)c1ccncc1c1ccccc1

Computed Properties

• Complexity: 224
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 2

Upstream Synthesis Route

3-Phenylisonicotinic acid, also known as Pinaconic acid, is a versatile compound commonly used in chemical synthesis. Its unique structure and properties make it valuable in various applications, particularly in organic chemistry and pharmaceutical research.1. Ligand Synthesis:
3-Phenylisonicotinic acid can act as a ligand in coordination chemistry, forming stable complexes with metal ions like copper, nickel, and zinc. These complexes are utilized in catalytic reactions and as intermediates for the synthesis of organic molecules.2. Medicinal Chemistry:
In medicinal chemistry, 3-Phenylisonicotinic acid serves as a vital building block for the synthesis of pharmaceutical compounds. Its aromatic ring and carboxylic acid group can be modified to create drug candidates with improved stability, solubility, and bioactivity.3. Heterocyclic Synthesis:
By reacting with various reagents and functional groups, 3-Phenylisonicotinic acid can be transformed into diverse heterocyclic compounds. These heterocycles are key components in synthesizing bioactive molecules, agrochemicals, and materials with specialized properties.Overall, 3-Phenylisonicotinic acid plays an essential role in the field of chemical synthesis, enabling the creation of complex molecules with significant applications in industry and scientific research.