6-Nitro-1H-indole-3-carbonitrile
TL;DR: 6-Nitro-1H-indole-3-carbonitrile (CAS 4769-99-7) is a chemical compound with molecular formula C9H5N3O2 and molecular weight 187.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-1H-indole-3-carbonitrile
Also Known As: 6-nitro-1H-indole-3-carbonitrile, 3-cyano-6-nitroindole, 6-Nitro-3-cyan-indol, 1H-Indole-3-carbonitrile, 6-nitro-, 6-Nitro-indole-3-carbonitrile
| Molecular Formula | C9H5N3O2 |
|---|---|
| Molecular Weight | 187.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 85.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.03818 |
| Heavy Atoms | 14 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 4769-99-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])NC=C2C#N |
| InChIKey | ZYNGQQUAXSHFSR-UHFFFAOYSA-N |
Product Overview
6-Nitro-1H-indole-3-carbonitrile (CAS 4769-99-7), with molecular formula C9H5N3O2 and molecular weight 187.04 g/mol. IUPAC: 6-nitro-1H-indole-3-carbonitrile.
Chemical Property Profile of 6-Nitro-1H-indole-3-carbonitrile
Property Insights of 6-Nitro-1H-indole-3-carbonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Nitro-1H-indole-3-carbonitrile. The TPSA of 85.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitro-1H-indole-3-carbonitrile. Following Lipinski's Rule of Five, 6-Nitro-1H-indole-3-carbonitrile 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 6-Nitro-1H-indole-3-carbonitrile?
The CAS number of 6-Nitro-1H-indole-3-carbonitrile is 4769-99-7.
What is the molecular formula of 6-Nitro-1H-indole-3-carbonitrile?
The molecular formula of 6-Nitro-1H-indole-3-carbonitrile is C9H5N3O2.
What is the molecular weight of 6-Nitro-1H-indole-3-carbonitrile?
The molecular weight of 6-Nitro-1H-indole-3-carbonitrile is 187.04 g/mol.
Where can I buy 6-Nitro-1H-indole-3-carbonitrile?
You can request a quote for 6-Nitro-1H-indole-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Nitro-1H-indole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitro-1H-indole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.