6-Methyl-2-nitro-3-pyridyl 2-chloronicotinate
TL;DR: 6-Methyl-2-nitro-3-pyridyl 2-chloronicotinate (CAS 219931-06-3) is a chemical compound with molecular formula C12H8ClN3O4 and molecular weight 293.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-methyl-2-nitro-3-pyridinyl) 2-chloropyridine-3-carboxylate
Also Known As: 6-methyl-2-nitro-3-pyridyl 2-chloronicotinate, (6-methyl-2-nitropyridin-3-yl) 2-chloropyridine-3-carboxylate, 6-methyl-2-nitropyridin-3-yl 2-chloropyridine-3-carboxylate
| Molecular Formula | C12H8ClN3O4 |
|---|---|
| Molecular Weight | 293.02 g/mol |
| LogP | 2.56582 |
| Topological Polar Surface Area | 95.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.02032 |
| Heavy Atoms | 20 |
| Complexity | 690.1527 |
Chemical Identifiers
| CAS Number | 219931-06-3 |
|---|---|
| SMILES | CC1=NC(=C(C=C1)OC(=O)C2=C(N=CC=C2)Cl)[N+](=O)[O-] |
Product Overview
6-Methyl-2-nitro-3-pyridyl 2-chloronicotinate (CAS 219931-06-3), with molecular formula C12H8ClN3O4 and molecular weight 293.02 g/mol. IUPAC: (6-methyl-2-nitro-3-pyridinyl) 2-chloropyridine-3-carboxylate.
Chemical Property Profile of 6-Methyl-2-nitro-3-pyridyl 2-chloronicotinate
Property Insights of 6-Methyl-2-nitro-3-pyridyl 2-chloronicotinate
The XLogP value of 2.56582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-2-nitro-3-pyridyl 2-chloronicotinate. The TPSA of 95.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Methyl-2-nitro-3-pyridyl 2-chloronicotinate. Following Lipinski's Rule of Five, 6-Methyl-2-nitro-3-pyridyl 2-chloronicotinate has 0 hydrogen bond donor(s) and 6 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-Methyl-2-nitro-3-pyridyl 2-chloronicotinate?
The CAS number of 6-Methyl-2-nitro-3-pyridyl 2-chloronicotinate is 219931-06-3.
What is the molecular formula of 6-Methyl-2-nitro-3-pyridyl 2-chloronicotinate?
The molecular formula of 6-Methyl-2-nitro-3-pyridyl 2-chloronicotinate is C12H8ClN3O4.
What is the molecular weight of 6-Methyl-2-nitro-3-pyridyl 2-chloronicotinate?
The molecular weight of 6-Methyl-2-nitro-3-pyridyl 2-chloronicotinate is 293.02 g/mol.
Where can I buy 6-Methyl-2-nitro-3-pyridyl 2-chloronicotinate?
You can request a quote for 6-Methyl-2-nitro-3-pyridyl 2-chloronicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyl-2-nitro-3-pyridyl 2-chloronicotinate?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-2-nitro-3-pyridyl 2-chloronicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.