6-Chloro-2-pyridylmethyl nitrate
TL;DR: 6-Chloro-2-pyridylmethyl nitrate (CAS 90500-72-4) is a chemical compound with molecular formula C6H5ClN2O3 and molecular weight 188.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-chloro-2-pyridinyl)methyl nitrate
Also Known As: CPMN, 6-Chloro-2-pyridylmethyl nitrate, (6-chloropyridin-2-yl)methyl nitrate, 6-chloro-2-pyridylmethylnitrate, 2-nitroxymethyl-6-chloropyridine
| Molecular Formula | C6H5ClN2O3 |
|---|---|
| Molecular Weight | 188.00 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.99887 |
| Heavy Atoms | 12 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 90500-72-4 |
|---|---|
| SMILES | C1=CC(=NC(=C1)Cl)CO[N+](=O)[O-] |
| InChIKey | KLKMRHCMLLGCSZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Chloro-2-pyridylmethyl nitrate (CAS 90500-72-4), with molecular formula C6H5ClN2O3 and molecular weight 188.00 g/mol. IUPAC: (6-chloro-2-pyridinyl)methyl nitrate.
Chemical Property Profile of 6-Chloro-2-pyridylmethyl nitrate
Property Insights of 6-Chloro-2-pyridylmethyl nitrate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-2-pyridylmethyl nitrate. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Chloro-2-pyridylmethyl nitrate. Following Lipinski's Rule of Five, 6-Chloro-2-pyridylmethyl nitrate has 0 hydrogen bond donor(s) and 4 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-Chloro-2-pyridylmethyl nitrate?
The CAS number of 6-Chloro-2-pyridylmethyl nitrate is 90500-72-4.
What is the molecular formula of 6-Chloro-2-pyridylmethyl nitrate?
The molecular formula of 6-Chloro-2-pyridylmethyl nitrate is C6H5ClN2O3.
What is the molecular weight of 6-Chloro-2-pyridylmethyl nitrate?
The molecular weight of 6-Chloro-2-pyridylmethyl nitrate is 188.00 g/mol.
Where can I buy 6-Chloro-2-pyridylmethyl nitrate?
You can request a quote for 6-Chloro-2-pyridylmethyl nitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-2-pyridylmethyl nitrate?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-2-pyridylmethyl nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.