3-Hydroxy-2-hydroxymethyl-6-methylpyridine
TL;DR: 3-Hydroxy-2-hydroxymethyl-6-methylpyridine (CAS 453-14-5) is a chemical compound with molecular formula CC1=NC(=C(C=C1)O)CO and molecular weight 139.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethyl)-6-methylpyridin-3-ol
Also Known As: 2-(hydroxymethyl)-6-methylpyridin-3-ol, 3-Hydroxy-6-methyl-2-pyridinemethanol, 3-Hydroxy-2-hydroxymethyl-6-methylpyridine, 2,6-Lutidine-?2,3-diol, 2,6-Lutidine-
| Molecular Formula | CC1=NC(=C(C=C1)O)CO |
|---|---|
| Molecular Weight | 139.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 53.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 139.06332 |
| Heavy Atoms | 10 |
| Complexity | 108.0 |
| Solubility | >20.9 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 453-14-5 |
|---|---|
| SMILES | CC1=NC(=C(C=C1)O)CO |
| InChIKey | PAGTXDLKXRBHFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxy-2-hydroxymethyl-6-methylpyridine (CAS 453-14-5), with molecular formula CC1=NC(=C(C=C1)O)CO and molecular weight 139.06 g/mol. IUPAC: 2-(hydroxymethyl)-6-methylpyridin-3-ol.
Chemical Property Profile of 3-Hydroxy-2-hydroxymethyl-6-methylpyridine
Property Insights of 3-Hydroxy-2-hydroxymethyl-6-methylpyridine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-2-hydroxymethyl-6-methylpyridine. With a topological polar surface area (TPSA) of 53.4 Ų, 3-Hydroxy-2-hydroxymethyl-6-methylpyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-2-hydroxymethyl-6-methylpyridine has 2 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 3-Hydroxy-2-hydroxymethyl-6-methylpyridine?
The CAS number of 3-Hydroxy-2-hydroxymethyl-6-methylpyridine is 453-14-5.
What is the molecular formula of 3-Hydroxy-2-hydroxymethyl-6-methylpyridine?
The molecular formula of 3-Hydroxy-2-hydroxymethyl-6-methylpyridine is CC1=NC(=C(C=C1)O)CO.
What is the molecular weight of 3-Hydroxy-2-hydroxymethyl-6-methylpyridine?
The molecular weight of 3-Hydroxy-2-hydroxymethyl-6-methylpyridine is 139.06 g/mol.
Where can I buy 3-Hydroxy-2-hydroxymethyl-6-methylpyridine?
You can request a quote for 3-Hydroxy-2-hydroxymethyl-6-methylpyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-2-hydroxymethyl-6-methylpyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-2-hydroxymethyl-6-methylpyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.