6-Hydroxymethyl-nicotinic acid methyl ester
TL;DR: 6-Hydroxymethyl-nicotinic acid methyl ester (CAS 564-96-5) is a chemical compound with molecular formula C8H9NO3 and molecular weight 167.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(hydroxymethyl)pyridine-3-carboxylate
Also Known As: methyl 6-(hydroxymethyl)nicotinate, 6-Hydroxymethyl-nicotinic acid methyl ester, methyl 6-(hydroxymethyl)pyridine-3-carboxylate, Etoricoxib Impurity 77, methyl 6-hydroxymethylnicotinate
| Molecular Formula | C8H9NO3 |
|---|---|
| Molecular Weight | 167.06 g/mol |
| LogP | 0.3605 |
| Topological Polar Surface Area | 59.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.05824 |
| Heavy Atoms | 12 |
| Complexity | 268.13638 |
Chemical Identifiers
| CAS Number | 564-96-5 |
|---|---|
| SMILES | COC(=O)C1=CN=C(C=C1)CO |
Product Overview
6-Hydroxymethyl-nicotinic acid methyl ester (CAS 564-96-5), with molecular formula C8H9NO3 and molecular weight 167.06 g/mol. IUPAC: methyl 6-(hydroxymethyl)pyridine-3-carboxylate.
Chemical Property Profile of 6-Hydroxymethyl-nicotinic acid methyl ester
Property Insights of 6-Hydroxymethyl-nicotinic acid methyl ester
The XLogP value of 0.3605 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Hydroxymethyl-nicotinic acid methyl ester. With a topological polar surface area (TPSA) of 59.42 Ų, 6-Hydroxymethyl-nicotinic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Hydroxymethyl-nicotinic acid methyl ester has 1 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 6-Hydroxymethyl-nicotinic acid methyl ester?
The CAS number of 6-Hydroxymethyl-nicotinic acid methyl ester is 564-96-5.
What is the molecular formula of 6-Hydroxymethyl-nicotinic acid methyl ester?
The molecular formula of 6-Hydroxymethyl-nicotinic acid methyl ester is C8H9NO3.
What is the molecular weight of 6-Hydroxymethyl-nicotinic acid methyl ester?
The molecular weight of 6-Hydroxymethyl-nicotinic acid methyl ester is 167.06 g/mol.
Where can I buy 6-Hydroxymethyl-nicotinic acid methyl ester?
You can request a quote for 6-Hydroxymethyl-nicotinic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Hydroxymethyl-nicotinic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 6-Hydroxymethyl-nicotinic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.