Isonicotinylglycine
TL;DR: Isonicotinylglycine (CAS 5463-54-7) is a chemical compound with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(pyridine-4-carbonylamino)acetic acid
Also Known As: Isonicotinylglycine, Isonicotinuric acid, (isonicotinoylamino)acetic acid, n-isonicotinoylglycine, isonicotinuricacid
| Molecular Formula | C8H8N2O3 |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.0535 |
| Heavy Atoms | 13 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 5463-54-7 |
|---|---|
| SMILES | C1=CN=CC=C1C(=O)NCC(=O)O |
| InChIKey | HKCLSDCBERVTCT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isonicotinylglycine (CAS 5463-54-7), with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol. IUPAC: 2-(pyridine-4-carbonylamino)acetic acid.
Chemical Property Profile of Isonicotinylglycine
Property Insights of Isonicotinylglycine
The XLogP value of -0.8 indicates that Isonicotinylglycine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Isonicotinylglycine. Following Lipinski's Rule of Five, Isonicotinylglycine has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isonicotinylglycine?
The CAS number of Isonicotinylglycine is 5463-54-7.
What is the molecular formula of Isonicotinylglycine?
The molecular formula of Isonicotinylglycine is C8H8N2O3.
What is the molecular weight of Isonicotinylglycine?
The molecular weight of Isonicotinylglycine is 180.05 g/mol.
Where can I buy Isonicotinylglycine?
You can request a quote for Isonicotinylglycine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isonicotinylglycine?
Yes, KEHONG BIO provides custom synthesis services for Isonicotinylglycine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.