(4,6-dimethyl-3-nitro-2-oxopyridin-1(2H)-yl)acetic acid
TL;DR: (4,6-dimethyl-3-nitro-2-oxopyridin-1(2H)-yl)acetic acid (CAS 367454-82-8) is a chemical compound with molecular formula C9H10N2O5 and molecular weight 226.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,6-dimethyl-3-nitro-2-oxo-1-pyridinyl)acetic acid
Also Known As: (4,6-dimethyl-3-nitro-2-oxopyridin-1(2H)-yl)acetic acid, ZERO/001745, 2-(4,6-Dimethyl-3-nitro-2-oxopyridin-1(2H)-yl)acetic acid, 2-(4,6-dimethyl-3-nitro-2-oxopyridin-1-yl)acetic acid, 1(2H)-pyridineacetic acid, 4,6-dimethyl-3-nitro-2-oxo-
| Molecular Formula | C9H10N2O5 |
|---|---|
| Molecular Weight | 226.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.05898 |
| Heavy Atoms | 16 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 367454-82-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1CC(=O)O)[N+](=O)[O-])C |
| InChIKey | DHPOXPMQHNJROT-UHFFFAOYSA-N |
Product Overview
(4,6-dimethyl-3-nitro-2-oxopyridin-1(2H)-yl)acetic acid (CAS 367454-82-8), with molecular formula C9H10N2O5 and molecular weight 226.06 g/mol. IUPAC: 2-(4,6-dimethyl-3-nitro-2-oxo-1-pyridinyl)acetic acid.
Chemical Property Profile of (4,6-dimethyl-3-nitro-2-oxopyridin-1(2H)-yl)acetic acid
Property Insights of (4,6-dimethyl-3-nitro-2-oxopyridin-1(2H)-yl)acetic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4,6-dimethyl-3-nitro-2-oxopyridin-1(2H)-yl)acetic acid. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4,6-dimethyl-3-nitro-2-oxopyridin-1(2H)-yl)acetic acid. Following Lipinski's Rule of Five, (4,6-dimethyl-3-nitro-2-oxopyridin-1(2H)-yl)acetic acid has 1 hydrogen bond donor(s) and 5 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 (4,6-dimethyl-3-nitro-2-oxopyridin-1(2H)-yl)acetic acid?
The CAS number of (4,6-dimethyl-3-nitro-2-oxopyridin-1(2H)-yl)acetic acid is 367454-82-8.
What is the molecular formula of (4,6-dimethyl-3-nitro-2-oxopyridin-1(2H)-yl)acetic acid?
The molecular formula of (4,6-dimethyl-3-nitro-2-oxopyridin-1(2H)-yl)acetic acid is C9H10N2O5.
What is the molecular weight of (4,6-dimethyl-3-nitro-2-oxopyridin-1(2H)-yl)acetic acid?
The molecular weight of (4,6-dimethyl-3-nitro-2-oxopyridin-1(2H)-yl)acetic acid is 226.06 g/mol.
Where can I buy (4,6-dimethyl-3-nitro-2-oxopyridin-1(2H)-yl)acetic acid?
You can request a quote for (4,6-dimethyl-3-nitro-2-oxopyridin-1(2H)-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4,6-dimethyl-3-nitro-2-oxopyridin-1(2H)-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (4,6-dimethyl-3-nitro-2-oxopyridin-1(2H)-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.