2-(5-nitro-1H-indol-3-yl)acetonitrile
TL;DR: 2-(5-nitro-1H-indol-3-yl)acetonitrile (CAS 73139-85-2) is a chemical compound with molecular formula C10H7N3O2 and molecular weight 201.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-nitro-1H-indol-3-yl)acetonitrile
Also Known As: 2-(5-nitro-1H-indol-3-yl)acetonitrile, 5-Nitroindole-3-acetonitrile, 5-Nitro-3-indolylacetonitrile, 5-Nitro-3-indolyacetonitrile, 5-Nitro-3-indolacetonitrile
| Molecular Formula | C10H7N3O2 |
|---|---|
| Molecular Weight | 201.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 85.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.05383 |
| Heavy Atoms | 15 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 73139-85-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)CC#N |
| InChIKey | BAYBZUUQTBZGPJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(5-nitro-1H-indol-3-yl)acetonitrile (CAS 73139-85-2), with molecular formula C10H7N3O2 and molecular weight 201.05 g/mol. IUPAC: 2-(5-nitro-1H-indol-3-yl)acetonitrile.
Chemical Property Profile of 2-(5-nitro-1H-indol-3-yl)acetonitrile
Property Insights of 2-(5-nitro-1H-indol-3-yl)acetonitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-nitro-1H-indol-3-yl)acetonitrile. The TPSA of 85.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-nitro-1H-indol-3-yl)acetonitrile. Following Lipinski's Rule of Five, 2-(5-nitro-1H-indol-3-yl)acetonitrile has 1 hydrogen bond donor(s) and 3 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 2-(5-nitro-1H-indol-3-yl)acetonitrile?
The CAS number of 2-(5-nitro-1H-indol-3-yl)acetonitrile is 73139-85-2.
What is the molecular formula of 2-(5-nitro-1H-indol-3-yl)acetonitrile?
The molecular formula of 2-(5-nitro-1H-indol-3-yl)acetonitrile is C10H7N3O2.
What is the molecular weight of 2-(5-nitro-1H-indol-3-yl)acetonitrile?
The molecular weight of 2-(5-nitro-1H-indol-3-yl)acetonitrile is 201.05 g/mol.
Where can I buy 2-(5-nitro-1H-indol-3-yl)acetonitrile?
You can request a quote for 2-(5-nitro-1H-indol-3-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-nitro-1H-indol-3-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-nitro-1H-indol-3-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.