3-Methyl-isonicotinic acid
TL;DR: 3-Methyl-isonicotinic acid (CAS 40211-20-9) is a chemical compound with molecular formula C7H7NO2 and molecular weight 137.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylpyridine-4-carboxylic acid
Also Known As: 3-methylisonicotinic acid, 3-Methyl-4-pyridinecarboxylic acid, 3-Methyl-isonicotinic acid, 3-methylpyridine-4-carboxylic acid, 3-METHYL ISONICOTINIC ACID
| Molecular Formula | C7H7NO2 |
|---|---|
| Molecular Weight | 137.05 g/mol |
| LogP | 1.08822 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 137.04768 |
| Heavy Atoms | 10 |
| Complexity | 257.53796 |
Chemical Identifiers
| CAS Number | 40211-20-9 |
|---|---|
| SMILES | CC1=C(C=CN=C1)C(=O)O |
Product Overview
3-Methyl-isonicotinic acid (CAS 40211-20-9), with molecular formula C7H7NO2 and molecular weight 137.05 g/mol. IUPAC: 3-methylpyridine-4-carboxylic acid.
Chemical Property Profile of 3-Methyl-isonicotinic acid
Property Insights of 3-Methyl-isonicotinic acid
The XLogP value of 1.08822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-isonicotinic acid. With a topological polar surface area (TPSA) of 50.19 Ų, 3-Methyl-isonicotinic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-isonicotinic acid has 1 hydrogen bond donor(s) and 2 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-Methyl-isonicotinic acid?
The CAS number of 3-Methyl-isonicotinic acid is 40211-20-9.
What is the molecular formula of 3-Methyl-isonicotinic acid?
The molecular formula of 3-Methyl-isonicotinic acid is C7H7NO2.
What is the molecular weight of 3-Methyl-isonicotinic acid?
The molecular weight of 3-Methyl-isonicotinic acid is 137.05 g/mol.
Where can I buy 3-Methyl-isonicotinic acid?
You can request a quote for 3-Methyl-isonicotinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-isonicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-isonicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.