Methyl 1-(3-nitropyridin-2-yl)piperidine-4-carboxylate
TL;DR: Methyl 1-(3-nitropyridin-2-yl)piperidine-4-carboxylate (CAS 898228-95-0) is a chemical compound with molecular formula C12H15N3O4 and molecular weight 265.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(3-nitro-2-pyridinyl)piperidine-4-carboxylate
Also Known As: Methyl 1-(3-nitropyridin-2-yl)piperidine-4-carboxylate
| Molecular Formula | C12H15N3O4 |
|---|---|
| Molecular Weight | 265.11 g/mol |
| LogP | 1.3792 |
| Topological Polar Surface Area | 85.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.10626 |
| Heavy Atoms | 19 |
| Complexity | 483.61777 |
Chemical Identifiers
| CAS Number | 898228-95-0 |
|---|---|
| SMILES | COC(=O)C1CCN(CC1)C2=C(C=CC=N2)[N+](=O)[O-] |
Product Overview
Methyl 1-(3-nitropyridin-2-yl)piperidine-4-carboxylate (CAS 898228-95-0), with molecular formula C12H15N3O4 and molecular weight 265.11 g/mol. IUPAC: methyl 1-(3-nitro-2-pyridinyl)piperidine-4-carboxylate.
Chemical Property Profile of Methyl 1-(3-nitropyridin-2-yl)piperidine-4-carboxylate
Property Insights of Methyl 1-(3-nitropyridin-2-yl)piperidine-4-carboxylate
The XLogP value of 1.3792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-(3-nitropyridin-2-yl)piperidine-4-carboxylate. The TPSA of 85.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1-(3-nitropyridin-2-yl)piperidine-4-carboxylate. Following Lipinski's Rule of Five, Methyl 1-(3-nitropyridin-2-yl)piperidine-4-carboxylate 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 Methyl 1-(3-nitropyridin-2-yl)piperidine-4-carboxylate?
The CAS number of Methyl 1-(3-nitropyridin-2-yl)piperidine-4-carboxylate is 898228-95-0.
What is the molecular formula of Methyl 1-(3-nitropyridin-2-yl)piperidine-4-carboxylate?
The molecular formula of Methyl 1-(3-nitropyridin-2-yl)piperidine-4-carboxylate is C12H15N3O4.
What is the molecular weight of Methyl 1-(3-nitropyridin-2-yl)piperidine-4-carboxylate?
The molecular weight of Methyl 1-(3-nitropyridin-2-yl)piperidine-4-carboxylate is 265.11 g/mol.
Where can I buy Methyl 1-(3-nitropyridin-2-yl)piperidine-4-carboxylate?
You can request a quote for Methyl 1-(3-nitropyridin-2-yl)piperidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-(3-nitropyridin-2-yl)piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-(3-nitropyridin-2-yl)piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.