Dimethyl 2-(5-nitropyridin-2-yl)malonate
TL;DR: Dimethyl 2-(5-nitropyridin-2-yl)malonate (CAS 68719-87-9) is a chemical compound with molecular formula C10H10N2O6 and molecular weight 254.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(5-nitro-2-pyridinyl)propanedioate
Also Known As: Dimethyl 2-(5-nitropyridin-2-yl)malonate, dimethyl 2-(5-nitro-2-pyridinyl)malonate, dimethylnitropyridinylmalonate, dimethyl 2-(5-nitropyridin-2-yl)propanedioate, dimethyl2-(5-nitropyridin-2-yl)malonate
| Molecular Formula | C10H10N2O6 |
|---|---|
| Molecular Weight | 254.05 g/mol |
| LogP | 0.4194 |
| Topological Polar Surface Area | 108.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.05388 |
| Heavy Atoms | 18 |
| Complexity | 453.76117 |
Chemical Identifiers
| CAS Number | 68719-87-9 |
|---|---|
| SMILES | COC(=O)C(C1=NC=C(C=C1)[N+](=O)[O-])C(=O)OC |
Product Overview
Dimethyl 2-(5-nitropyridin-2-yl)malonate (CAS 68719-87-9), with molecular formula C10H10N2O6 and molecular weight 254.05 g/mol. IUPAC: dimethyl 2-(5-nitro-2-pyridinyl)propanedioate.
Chemical Property Profile of Dimethyl 2-(5-nitropyridin-2-yl)malonate
Property Insights of Dimethyl 2-(5-nitropyridin-2-yl)malonate
The XLogP value of 0.4194 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-(5-nitropyridin-2-yl)malonate. The TPSA of 108.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-(5-nitropyridin-2-yl)malonate. Following Lipinski's Rule of Five, Dimethyl 2-(5-nitropyridin-2-yl)malonate has 0 hydrogen bond donor(s) and 7 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 Dimethyl 2-(5-nitropyridin-2-yl)malonate?
The CAS number of Dimethyl 2-(5-nitropyridin-2-yl)malonate is 68719-87-9.
What is the molecular formula of Dimethyl 2-(5-nitropyridin-2-yl)malonate?
The molecular formula of Dimethyl 2-(5-nitropyridin-2-yl)malonate is C10H10N2O6.
What is the molecular weight of Dimethyl 2-(5-nitropyridin-2-yl)malonate?
The molecular weight of Dimethyl 2-(5-nitropyridin-2-yl)malonate is 254.05 g/mol.
Where can I buy Dimethyl 2-(5-nitropyridin-2-yl)malonate?
You can request a quote for Dimethyl 2-(5-nitropyridin-2-yl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-(5-nitropyridin-2-yl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(5-nitropyridin-2-yl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.