5-Formyl-3-hydroxy-2-methyl-4-pyridinecarboxylic acid
TL;DR: 5-Formyl-3-hydroxy-2-methyl-4-pyridinecarboxylic acid (CAS 7442-76-4) is a chemical compound with molecular formula C8H7NO4 and molecular weight 181.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-formyl-3-hydroxy-2-methylpyridine-4-carboxylic acid
Also Known As: 5-formyl-3-hydroxy-2-methylpyridine-4-carboxylic acid, 5-Formyl-3-hydroxy-2-methylisonicotinic acid, 2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate, Isonicotinic acid, 5-formyl-3-hydroxy-2-methyl-, 5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate
| Molecular Formula | C8H7NO4 |
|---|---|
| Molecular Weight | 181.04 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.0375 |
| Heavy Atoms | 13 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 7442-76-4 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)C(=O)O)C=O |
| InChIKey | JTWNWNJMNSJYDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Formyl-3-hydroxy-2-methyl-4-pyridinecarboxylic acid (CAS 7442-76-4), with molecular formula C8H7NO4 and molecular weight 181.04 g/mol. IUPAC: 5-formyl-3-hydroxy-2-methylpyridine-4-carboxylic acid.
Chemical Property Profile of 5-Formyl-3-hydroxy-2-methyl-4-pyridinecarboxylic acid
Property Insights of 5-Formyl-3-hydroxy-2-methyl-4-pyridinecarboxylic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Formyl-3-hydroxy-2-methyl-4-pyridinecarboxylic acid. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Formyl-3-hydroxy-2-methyl-4-pyridinecarboxylic acid. Following Lipinski's Rule of Five, 5-Formyl-3-hydroxy-2-methyl-4-pyridinecarboxylic acid has 2 hydrogen bond donor(s) and 5 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 5-Formyl-3-hydroxy-2-methyl-4-pyridinecarboxylic acid?
The CAS number of 5-Formyl-3-hydroxy-2-methyl-4-pyridinecarboxylic acid is 7442-76-4.
What is the molecular formula of 5-Formyl-3-hydroxy-2-methyl-4-pyridinecarboxylic acid?
The molecular formula of 5-Formyl-3-hydroxy-2-methyl-4-pyridinecarboxylic acid is C8H7NO4.
What is the molecular weight of 5-Formyl-3-hydroxy-2-methyl-4-pyridinecarboxylic acid?
The molecular weight of 5-Formyl-3-hydroxy-2-methyl-4-pyridinecarboxylic acid is 181.04 g/mol.
Where can I buy 5-Formyl-3-hydroxy-2-methyl-4-pyridinecarboxylic acid?
You can request a quote for 5-Formyl-3-hydroxy-2-methyl-4-pyridinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Formyl-3-hydroxy-2-methyl-4-pyridinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Formyl-3-hydroxy-2-methyl-4-pyridinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.