吡啶-2-甲酸
TL;DR: 吡啶-2-甲酸 (CAS 98-98-6) is a chemical compound with molecular formula C6H5NO2 and molecular weight 123.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吡啶-2-甲酸
pyridine-2-carboxylic acid
Also Known As: picolinic acid, 2-Picolinic acid, Pyridine-2-carboxylic acid, 2-Pyridinecarboxylic acid, 2-Carboxypyridine
| Molecular Formula | C6H5NO2 |
|---|---|
| Molecular Weight | 123.03 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 123.03203 |
| Heavy Atoms | 9 |
| Complexity | 114.0 |
| Melting Point | 136.5 °C |
| Solubility | 960 mg/mL at 20 °C |
| Vapor Pressure | 0.00789 [mmHg] |
Chemical Identifiers
| CAS Number | 98-98-6 |
|---|---|
| SMILES | C1=CC=NC(=C1)C(=O)O |
| InChIKey | SIOXPEMLGUPBBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
吡啶-2-甲酸 (CAS 98-98-6), with molecular formula C6H5NO2 and molecular weight 123.03 g/mol. IUPAC: pyridine-2-carboxylic acid.
Chemical Property Profile of 吡啶-2-甲酸
Property Insights of 吡啶-2-甲酸
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 吡啶-2-甲酸. With a topological polar surface area (TPSA) of 50.2 Ų, 吡啶-2-甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 吡啶-2-甲酸 has 1 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 吡啶-2-甲酸?
The CAS number of 吡啶-2-甲酸 is 98-98-6.
What is the molecular formula of 吡啶-2-甲酸?
The molecular formula of 吡啶-2-甲酸 is C6H5NO2.
What is the molecular weight of 吡啶-2-甲酸?
The molecular weight of 吡啶-2-甲酸 is 123.03 g/mol.
Where can I buy 吡啶-2-甲酸?
You can request a quote for 吡啶-2-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-2-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 吡啶-2-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.