1-(4-nitrophenyl)imino-2H-pyridin-1-ium-4-carboxylic acid
TL;DR: 1-(4-nitrophenyl)imino-2H-pyridin-1-ium-4-carboxylic acid (CAS 79771-29-2) is a chemical compound with molecular formula C12H10N3O4+ and molecular weight 260.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)imino-2H-pyridin-1-ium-4-carboxylic acid
Also Known As: 4-Pyridinecarboxylic acid, 1-(4-nitrobenzoyl)hydrazide, 1-(4-nitrophenyl)imino-2H-pyridin-1-ium-4-carboxylic acid
| Molecular Formula | C12H10N3O4+ |
|---|---|
| Molecular Weight | 260.07 g/mol |
| LogP | 2.2293 |
| Topological Polar Surface Area | 95.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.06714 |
| Heavy Atoms | 19 |
| Complexity | 614.3666 |
Chemical Identifiers
| CAS Number | 79771-29-2 |
|---|---|
| SMILES | C1C=C(C=C[N+]1=NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O |
Product Overview
1-(4-nitrophenyl)imino-2H-pyridin-1-ium-4-carboxylic acid (CAS 79771-29-2), with molecular formula C12H10N3O4+ and molecular weight 260.07 g/mol. IUPAC: 1-(4-nitrophenyl)imino-2H-pyridin-1-ium-4-carboxylic acid.
Chemical Property Profile of 1-(4-nitrophenyl)imino-2H-pyridin-1-ium-4-carboxylic acid
Property Insights of 1-(4-nitrophenyl)imino-2H-pyridin-1-ium-4-carboxylic acid
The XLogP value of 2.2293 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-nitrophenyl)imino-2H-pyridin-1-ium-4-carboxylic acid. The TPSA of 95.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-nitrophenyl)imino-2H-pyridin-1-ium-4-carboxylic acid. Following Lipinski's Rule of Five, 1-(4-nitrophenyl)imino-2H-pyridin-1-ium-4-carboxylic acid 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
Frequently Asked Questions
What is the CAS number of 1-(4-nitrophenyl)imino-2H-pyridin-1-ium-4-carboxylic acid?
The CAS number of 1-(4-nitrophenyl)imino-2H-pyridin-1-ium-4-carboxylic acid is 79771-29-2.
What is the molecular formula of 1-(4-nitrophenyl)imino-2H-pyridin-1-ium-4-carboxylic acid?
The molecular formula of 1-(4-nitrophenyl)imino-2H-pyridin-1-ium-4-carboxylic acid is C12H10N3O4+.
What is the molecular weight of 1-(4-nitrophenyl)imino-2H-pyridin-1-ium-4-carboxylic acid?
The molecular weight of 1-(4-nitrophenyl)imino-2H-pyridin-1-ium-4-carboxylic acid is 260.07 g/mol.
Where can I buy 1-(4-nitrophenyl)imino-2H-pyridin-1-ium-4-carboxylic acid?
You can request a quote for 1-(4-nitrophenyl)imino-2H-pyridin-1-ium-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-nitrophenyl)imino-2H-pyridin-1-ium-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-nitrophenyl)imino-2H-pyridin-1-ium-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.