3-Nitro-1,4-dihydropyridin-4-one
TL;DR: 3-Nitro-1,4-dihydropyridin-4-one (CAS 15990-90-6) is a chemical compound with molecular formula C5H4N2O3 and molecular weight 140.02219 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-nitro-1H-pyridin-4-one
Also Known As: 4-Hydroxy-3-nitropyridine, 3-nitropyridin-4-ol, 3-Nitro-1H-pyridin-4-one, 3-Nitro-4-pyridinol, 3-Nitropyridin-4(1H)-one
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H4N2O3 |
| Molecular Weight | 140.02219 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.02219 Da |
| Heavy Atoms | 10 |
| Complexity | 236.0 |
| SMILES | C1=CNC=C(C1=O)[N+](=O)[O-] |
| InChIKey | YUWOLBZMQDGRFV-UHFFFAOYSA-N |
Chemical Property Profile of 3-Nitro-1,4-dihydropyridin-4-one
Property Insights of 3-Nitro-1,4-dihydropyridin-4-one
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-1,4-dihydropyridin-4-one. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-1,4-dihydropyridin-4-one. Following Lipinski's Rule of Five, 3-Nitro-1,4-dihydropyridin-4-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Nitro-1,4-dihydropyridin-4-one?
The CAS number of 3-Nitro-1,4-dihydropyridin-4-one is 15990-90-6.
What is the molecular formula of 3-Nitro-1,4-dihydropyridin-4-one?
The molecular formula of 3-Nitro-1,4-dihydropyridin-4-one is C5H4N2O3.
What is the molecular weight of 3-Nitro-1,4-dihydropyridin-4-one?
The molecular weight of 3-Nitro-1,4-dihydropyridin-4-one is 140.02219 g/mol.
Where can I buy 3-Nitro-1,4-dihydropyridin-4-one?
You can request a quote for 3-Nitro-1,4-dihydropyridin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Nitro-1,4-dihydropyridin-4-one?
Yes, CoreyChem provides custom synthesis services for 3-Nitro-1,4-dihydropyridin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.