3-Pyridinecarboxylic acid, 5-nitro-2-(2-pyrimidinylthio)-
TL;DR: 3-Pyridinecarboxylic acid, 5-nitro-2-(2-pyrimidinylthio)- (CAS 73768-58-8) is a chemical compound with molecular formula C10H6N4O4S and molecular weight 278.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-2-pyrimidin-2-ylsulfanylpyridine-3-carboxylic acid
Also Known As: 3-Pyridinecarboxylic acid, 5-nitro-2-(2-pyrimidinylthio)-, 5-Nitro-2-(2-pyrimidinylthio)-3-pyridinecarboxylic acid, 5-nitro-2-pyrimidin-2-ylsulfanylpyridine-3-carboxylic acid, 5-Nitro-2-[(pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylic acid
| Molecular Formula | C10H6N4O4S |
|---|---|
| Molecular Weight | 278.01 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.011 |
| Heavy Atoms | 19 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 73768-58-8 |
|---|---|
| SMILES | C1=CN=C(N=C1)SC2=C(C=C(C=N2)[N+](=O)[O-])C(=O)O |
| InChIKey | HGRJBJKVVOKSAL-UHFFFAOYSA-N |
Product Overview
3-Pyridinecarboxylic acid, 5-nitro-2-(2-pyrimidinylthio)- (CAS 73768-58-8), with molecular formula C10H6N4O4S and molecular weight 278.01 g/mol. IUPAC: 5-nitro-2-pyrimidin-2-ylsulfanylpyridine-3-carboxylic acid.
Chemical Property Profile of 3-Pyridinecarboxylic acid, 5-nitro-2-(2-pyrimidinylthio)-
Property Insights of 3-Pyridinecarboxylic acid, 5-nitro-2-(2-pyrimidinylthio)-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarboxylic acid, 5-nitro-2-(2-pyrimidinylthio)-. The TPSA of 147.0 Ų indicates high polarity, suggesting 3-Pyridinecarboxylic acid, 5-nitro-2-(2-pyrimidinylthio)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 5-nitro-2-(2-pyrimidinylthio)- has 1 hydrogen bond donor(s) and 8 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-Pyridinecarboxylic acid, 5-nitro-2-(2-pyrimidinylthio)-?
The CAS number of 3-Pyridinecarboxylic acid, 5-nitro-2-(2-pyrimidinylthio)- is 73768-58-8.
What is the molecular formula of 3-Pyridinecarboxylic acid, 5-nitro-2-(2-pyrimidinylthio)-?
The molecular formula of 3-Pyridinecarboxylic acid, 5-nitro-2-(2-pyrimidinylthio)- is C10H6N4O4S.
What is the molecular weight of 3-Pyridinecarboxylic acid, 5-nitro-2-(2-pyrimidinylthio)-?
The molecular weight of 3-Pyridinecarboxylic acid, 5-nitro-2-(2-pyrimidinylthio)- is 278.01 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 5-nitro-2-(2-pyrimidinylthio)-?
You can request a quote for 3-Pyridinecarboxylic acid, 5-nitro-2-(2-pyrimidinylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarboxylic acid, 5-nitro-2-(2-pyrimidinylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, 5-nitro-2-(2-pyrimidinylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.