Nicotinyl 6-aminonicotinate
TL;DR: Nicotinyl 6-aminonicotinate (CAS 69879-21-6) is a chemical compound with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridin-3-ylmethyl 6-aminopyridine-3-carboxylate
Also Known As: Nicotinyl 6-aminonicotinate, nicotinyl6-aminonicotinate, Pyridin-3-ylmethyl 6-aminopyridine-3-carboxylate, 3-Pyridinecarboxylic acid, 6-amino-, 3-pyridinylmethyl ester, 3-Pyridinecarboxylicacid, 6-amino-, anhydride with 3-pyridinecarboxylic acid
| Molecular Formula | C12H11N3O2 |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.08513 |
| Heavy Atoms | 17 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 69879-21-6 |
|---|---|
| SMILES | C1=CC(=CN=C1)COC(=O)C2=CN=C(C=C2)N |
| InChIKey | NQXJJZAGIYNYLT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nicotinyl 6-aminonicotinate (CAS 69879-21-6), with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol. IUPAC: pyridin-3-ylmethyl 6-aminopyridine-3-carboxylate.
Chemical Property Profile of Nicotinyl 6-aminonicotinate
Property Insights of Nicotinyl 6-aminonicotinate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nicotinyl 6-aminonicotinate. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Nicotinyl 6-aminonicotinate. Following Lipinski's Rule of Five, Nicotinyl 6-aminonicotinate has 1 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 Nicotinyl 6-aminonicotinate?
The CAS number of Nicotinyl 6-aminonicotinate is 69879-21-6.
What is the molecular formula of Nicotinyl 6-aminonicotinate?
The molecular formula of Nicotinyl 6-aminonicotinate is C12H11N3O2.
What is the molecular weight of Nicotinyl 6-aminonicotinate?
The molecular weight of Nicotinyl 6-aminonicotinate is 229.09 g/mol.
Where can I buy Nicotinyl 6-aminonicotinate?
You can request a quote for Nicotinyl 6-aminonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicotinyl 6-aminonicotinate?
Yes, KEHONG BIO provides custom synthesis services for Nicotinyl 6-aminonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.