Nicotinate
TL;DR: Nicotinate (CAS 59-67-6) is a chemical compound with molecular formula C6H4NO2- and molecular weight 122.0242 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pyridine-3-carboxylate
Also Known As: nicotinate, nicotinic acid, nicotinat, pyridine-3-carboxylate, niacin
Technical Specifications
| Molecular Formula | C6H4NO2- |
| Molecular Weight | 122.0242 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 53.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 122.0242 Da |
| Heavy Atoms | 9 |
| Complexity | 108.0 |
| SMILES | C1=CC(=CN=C1)C(=O)[O-] |
| InChIKey | PVNIIMVLHYAWGP-UHFFFAOYSA-M |
Product Description
Applications: Nicotinate is used in organic synthesis and process chemistry. 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).
Nicotinate (CAS 59-67-6) is a fine chemical with the molecular formula C6H4NO2- and a molecular weight of 122.02 g/mol. Synonyms include nicotinate and nicotinic 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 Nicotinate
Property Insights of Nicotinate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nicotinate. With a topological polar surface area (TPSA) of 53.0 Ų, Nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nicotinate has 0 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 Nicotinate?
The CAS number of Nicotinate is 59-67-6.
What is the molecular formula of Nicotinate?
The molecular formula of Nicotinate is C6H4NO2-.
What is the molecular weight of Nicotinate?
The molecular weight of Nicotinate is 122.0242 g/mol.
What are the applications of Nicotinate?
Nicotinate is used in organic synthesis and process chemistry. 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).
Where can I buy Nicotinate?
You can request a quote for Nicotinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nicotinate?
Yes, CoreyChem provides custom synthesis services for Nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.