2,3,6-Trihydroxypyridine
TL;DR: 2,3,6-Trihydroxypyridine (CAS 39954-19-3) is a chemical compound with molecular formula C5H5NO3 and molecular weight 127.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dihydroxy-1H-pyridin-2-one
Also Known As: 2,3,6-Trihydroxypyridine, pyridine-2,3,6-triol, 2,3,6-Pyridinetriol, 5,6-dihydroxy-1H-pyridin-2-one, 2(1H)-Pyridinone, 3,6-dihydroxy-
| Molecular Formula | C5H5NO3 |
|---|---|
| Molecular Weight | 127.03 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 127.02694 |
| Heavy Atoms | 9 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 39954-19-3 |
|---|---|
| SMILES | C1=CC(=O)NC(=C1O)O |
| InChIKey | YXJHZIOEJRCYHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,6-Trihydroxypyridine (CAS 39954-19-3), with molecular formula C5H5NO3 and molecular weight 127.03 g/mol. IUPAC: 5,6-dihydroxy-1H-pyridin-2-one.
Chemical Property Profile of 2,3,6-Trihydroxypyridine
Property Insights of 2,3,6-Trihydroxypyridine
The XLogP value of -0.6 indicates that 2,3,6-Trihydroxypyridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,6-Trihydroxypyridine. Following Lipinski's Rule of Five, 2,3,6-Trihydroxypyridine has 3 hydrogen bond donor(s) and 3 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 2,3,6-Trihydroxypyridine?
The CAS number of 2,3,6-Trihydroxypyridine is 39954-19-3.
What is the molecular formula of 2,3,6-Trihydroxypyridine?
The molecular formula of 2,3,6-Trihydroxypyridine is C5H5NO3.
What is the molecular weight of 2,3,6-Trihydroxypyridine?
The molecular weight of 2,3,6-Trihydroxypyridine is 127.03 g/mol.
Where can I buy 2,3,6-Trihydroxypyridine?
You can request a quote for 2,3,6-Trihydroxypyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,6-Trihydroxypyridine?
Yes, KEHONG BIO provides custom synthesis services for 2,3,6-Trihydroxypyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.