Isonicotinic Acid
TL;DR: Isonicotinic Acid (CAS 55-22-1) is a chemical compound with molecular formula C6H5NO2 and molecular weight 123.03203 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pyridine-4-carboxylic acid
Also Known As: ISONICOTINIC ACID, 4-Pyridinecarboxylic acid, Pyridine-4-carboxylic acid, 4-Picolinic acid, 4-Carboxypyridine
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H5NO2 |
| Molecular Weight | 123.03203 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 123.03203 Da |
| Heavy Atoms | 9 |
| Complexity | 108.0 |
| Vapor Pressure | 0.00789 [mmHg] |
| SMILES | C1=CN=CC=C1C(=O)O |
| InChIKey | TWBYWOBDOCUKOW-UHFFFAOYSA-N |
Product Description
Applications: Isonicotinic Acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, Isonicotinic Acid (CAS 55-22-1) has the molecular formula C6H5NO2 and a molecular weight of 123.03 g/mol. Synonyms include ISONICOTINIC ACID and 4-Pyridinecarboxylic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Isonicotinic Acid
Property Insights of Isonicotinic Acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isonicotinic Acid. With a topological polar surface area (TPSA) of 50.2 Ų, Isonicotinic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isonicotinic Acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isonicotinic Acid?
The CAS number of Isonicotinic Acid is 55-22-1.
What is the molecular formula of Isonicotinic Acid?
The molecular formula of Isonicotinic Acid is C6H5NO2.
What is the molecular weight of Isonicotinic Acid?
The molecular weight of Isonicotinic Acid is 123.03203 g/mol.
What are the applications of Isonicotinic Acid?
Isonicotinic Acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Isonicotinic Acid?
You can request a quote for Isonicotinic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isonicotinic Acid?
Yes, CoreyChem provides custom synthesis services for Isonicotinic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.