2-Nitro-3-pyridinecarbonitrile
TL;DR: 2-Nitro-3-pyridinecarbonitrile (CAS 105151-36-8) is a chemical compound with molecular formula C6H3N3O2 and molecular weight 149.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitropyridine-3-carbonitrile
Also Known As: 2-Nitronicotinonitrile, Cyanonitropyridine, 2-nitropyridine-3-carbonitrile, 3-Cyano-2-Nitropyridine, 2-Nitronicotinonitrile #
| Molecular Formula | C6H3N3O2 |
|---|---|
| Molecular Weight | 149.02 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 149.02252 |
| Heavy Atoms | 11 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 105151-36-8 |
|---|---|
| SMILES | C1=CC(=C(N=C1)[N+](=O)[O-])C#N |
| InChIKey | RKJPWKKECQQVSX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitro-3-pyridinecarbonitrile (CAS 105151-36-8), with molecular formula C6H3N3O2 and molecular weight 149.02 g/mol. IUPAC: 2-nitropyridine-3-carbonitrile.
Chemical Property Profile of 2-Nitro-3-pyridinecarbonitrile
Property Insights of 2-Nitro-3-pyridinecarbonitrile
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitro-3-pyridinecarbonitrile. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitro-3-pyridinecarbonitrile. Following Lipinski's Rule of Five, 2-Nitro-3-pyridinecarbonitrile 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 2-Nitro-3-pyridinecarbonitrile?
The CAS number of 2-Nitro-3-pyridinecarbonitrile is 105151-36-8.
What is the molecular formula of 2-Nitro-3-pyridinecarbonitrile?
The molecular formula of 2-Nitro-3-pyridinecarbonitrile is C6H3N3O2.
What is the molecular weight of 2-Nitro-3-pyridinecarbonitrile?
The molecular weight of 2-Nitro-3-pyridinecarbonitrile is 149.02 g/mol.
Where can I buy 2-Nitro-3-pyridinecarbonitrile?
You can request a quote for 2-Nitro-3-pyridinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-3-pyridinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-3-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.