1-(3-Nitropyridin-4-yl)ethanone
TL;DR: 1-(3-Nitropyridin-4-yl)ethanone (CAS 161871-65-4) is a chemical compound with molecular formula C7H6N2O3 and molecular weight 166.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-nitro-4-pyridinyl)ethanone
Also Known As: 1-(3-nitropyridin-4-yl)ethanone, 1-(3-Nitro-4-pyridinyl)-ethanone, 1-(3-nitro-4-pyridinyl)ethanone, 1-(3-Nitropyridin-4-yl)ethan-1-one, 3-Nitro-4-acetylpyridine
| Molecular Formula | C7H6N2O3 |
|---|---|
| Molecular Weight | 166.04 g/mol |
| LogP | 1.1924 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.03784 |
| Heavy Atoms | 12 |
| Complexity | 302.1783 |
Chemical Identifiers
| CAS Number | 161871-65-4 |
|---|---|
| SMILES | CC(=O)C1=C(C=NC=C1)[N+](=O)[O-] |
Product Overview
1-(3-Nitropyridin-4-yl)ethanone (CAS 161871-65-4), with molecular formula C7H6N2O3 and molecular weight 166.04 g/mol. IUPAC: 1-(3-nitro-4-pyridinyl)ethanone.
Chemical Property Profile of 1-(3-Nitropyridin-4-yl)ethanone
Property Insights of 1-(3-Nitropyridin-4-yl)ethanone
The XLogP value of 1.1924 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Nitropyridin-4-yl)ethanone. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Nitropyridin-4-yl)ethanone. Following Lipinski's Rule of Five, 1-(3-Nitropyridin-4-yl)ethanone has 0 hydrogen bond donor(s) and 4 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 1-(3-Nitropyridin-4-yl)ethanone?
The CAS number of 1-(3-Nitropyridin-4-yl)ethanone is 161871-65-4.
What is the molecular formula of 1-(3-Nitropyridin-4-yl)ethanone?
The molecular formula of 1-(3-Nitropyridin-4-yl)ethanone is C7H6N2O3.
What is the molecular weight of 1-(3-Nitropyridin-4-yl)ethanone?
The molecular weight of 1-(3-Nitropyridin-4-yl)ethanone is 166.04 g/mol.
Where can I buy 1-(3-Nitropyridin-4-yl)ethanone?
You can request a quote for 1-(3-Nitropyridin-4-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Nitropyridin-4-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Nitropyridin-4-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.