吡啶-3,5-二甲酸
TL;DR: 吡啶-3,5-二甲酸 (CAS 499-81-0) is a chemical compound with molecular formula C7H5NO4 and molecular weight 167.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吡啶-3,5-二甲酸
pyridine-3,5-dicarboxylic acid
Also Known As: Pyridine-3,5-dicarboxylic acid, 3,5-Pyridinedicarboxylic acid, DINICOTINIC ACID, 5-Carboxynicotinic acid, 3,5-pyridindicarbons
| Molecular Formula | C7H5NO4 |
|---|---|
| Molecular Weight | 167.02 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.02185 |
| Heavy Atoms | 12 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 499-81-0 |
|---|---|
| SMILES | C1=C(C=NC=C1C(=O)O)C(=O)O |
| InChIKey | MPFLRYZEEAQMLQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
吡啶-3,5-二甲酸 (CAS 499-81-0), with molecular formula C7H5NO4 and molecular weight 167.02 g/mol. IUPAC: pyridine-3,5-dicarboxylic acid.
Chemical Property Profile of 吡啶-3,5-二甲酸
Property Insights of 吡啶-3,5-二甲酸
The XLogP value of -0.1 indicates that 吡啶-3,5-二甲酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 吡啶-3,5-二甲酸. Following Lipinski's Rule of Five, 吡啶-3,5-二甲酸 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 吡啶-3,5-二甲酸?
The CAS number of 吡啶-3,5-二甲酸 is 499-81-0.
What is the molecular formula of 吡啶-3,5-二甲酸?
The molecular formula of 吡啶-3,5-二甲酸 is C7H5NO4.
What is the molecular weight of 吡啶-3,5-二甲酸?
The molecular weight of 吡啶-3,5-二甲酸 is 167.02 g/mol.
Where can I buy 吡啶-3,5-二甲酸?
You can request a quote for 吡啶-3,5-二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吡啶-3,5-二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 吡啶-3,5-二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.