Methyl 6-chloro-5-nitronicotinate
TL;DR: Methyl 6-chloro-5-nitronicotinate (CAS 59237-53-5) is a chemical compound with molecular formula C7H5ClN2O4 and molecular weight 215.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-chloro-5-nitropyridine-3-carboxylate
Also Known As: Methyl 6-chloro-5-nitronicotinate, methyl 6-chloro-5-nitropyridine-3-carboxylate, METHYL6-CHLORO-5-NITRONICOTINATE, methyl 6-chloro-5-nitro-nicotinate, 6-CHLORO-5-NITRONICOTINIC ACID METHYL ESTER
| Molecular Formula | C7H5ClN2O4 |
|---|---|
| Molecular Weight | 215.99 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.99379 |
| Heavy Atoms | 14 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 59237-53-5 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(N=C1)Cl)[N+](=O)[O-] |
| InChIKey | BRPREIDVQXJOJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 6-chloro-5-nitronicotinate (CAS 59237-53-5), with molecular formula C7H5ClN2O4 and molecular weight 215.99 g/mol. IUPAC: methyl 6-chloro-5-nitropyridine-3-carboxylate.
Chemical Property Profile of Methyl 6-chloro-5-nitronicotinate
Property Insights of Methyl 6-chloro-5-nitronicotinate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-chloro-5-nitronicotinate. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 6-chloro-5-nitronicotinate. Following Lipinski's Rule of Five, Methyl 6-chloro-5-nitronicotinate has 0 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 Methyl 6-chloro-5-nitronicotinate?
The CAS number of Methyl 6-chloro-5-nitronicotinate is 59237-53-5.
What is the molecular formula of Methyl 6-chloro-5-nitronicotinate?
The molecular formula of Methyl 6-chloro-5-nitronicotinate is C7H5ClN2O4.
What is the molecular weight of Methyl 6-chloro-5-nitronicotinate?
The molecular weight of Methyl 6-chloro-5-nitronicotinate is 215.99 g/mol.
Where can I buy Methyl 6-chloro-5-nitronicotinate?
You can request a quote for Methyl 6-chloro-5-nitronicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 6-chloro-5-nitronicotinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-chloro-5-nitronicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.