![6,7-Dihydro-3-nitro-5H-cyclopenta[b]pyridin-2(1H)-one structure](/static/products/1944/194427-58-2.webp)
6,7-Dihydro-3-nitro-5H-cyclopenta[b]pyridin-2(1H)-one
TL;DR: 6,7-Dihydro-3-nitro-5H-cyclopenta[b]pyridin-2(1H)-one (CAS 194427-58-2) is a chemical compound with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
Also Known As: J1.056.594D, 3-nitro-1H,2H,5H,6H,7H-cyclopenta[b]pyridin-2-one, 3-nitro-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one, 3-Nitro-6,7-dihydro-5H-1-pyrindine-2(1H)-one, 6,7-Dihydro-3-nitro-5H-cyclopenta[b]pyridin-2(1H)-one
| Molecular Formula | C8H8N2O3 |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.0535 |
| Heavy Atoms | 13 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 194427-58-2 |
|---|---|
| SMILES | C1CC2=C(C1)NC(=O)C(=C2)[N+](=O)[O-] |
| InChIKey | JJNYQLUGEHFZIW-UHFFFAOYSA-N |
Product Overview
6,7-Dihydro-3-nitro-5H-cyclopenta[b]pyridin-2(1H)-one (CAS 194427-58-2), with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol. IUPAC: 3-nitro-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.
Chemical Property Profile of 6,7-Dihydro-3-nitro-5H-cyclopenta[b]pyridin-2(1H)-one
Property Insights of 6,7-Dihydro-3-nitro-5H-cyclopenta[b]pyridin-2(1H)-one
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-Dihydro-3-nitro-5H-cyclopenta[b]pyridin-2(1H)-one. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-Dihydro-3-nitro-5H-cyclopenta[b]pyridin-2(1H)-one. Following Lipinski's Rule of Five, 6,7-Dihydro-3-nitro-5H-cyclopenta[b]pyridin-2(1H)-one 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 6,7-Dihydro-3-nitro-5H-cyclopenta[b]pyridin-2(1H)-one?
The CAS number of 6,7-Dihydro-3-nitro-5H-cyclopenta[b]pyridin-2(1H)-one is 194427-58-2.
What is the molecular formula of 6,7-Dihydro-3-nitro-5H-cyclopenta[b]pyridin-2(1H)-one?
The molecular formula of 6,7-Dihydro-3-nitro-5H-cyclopenta[b]pyridin-2(1H)-one is C8H8N2O3.
What is the molecular weight of 6,7-Dihydro-3-nitro-5H-cyclopenta[b]pyridin-2(1H)-one?
The molecular weight of 6,7-Dihydro-3-nitro-5H-cyclopenta[b]pyridin-2(1H)-one is 180.05 g/mol.
Where can I buy 6,7-Dihydro-3-nitro-5H-cyclopenta[b]pyridin-2(1H)-one?
You can request a quote for 6,7-Dihydro-3-nitro-5H-cyclopenta[b]pyridin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-Dihydro-3-nitro-5H-cyclopenta[b]pyridin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Dihydro-3-nitro-5H-cyclopenta[b]pyridin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.