2-(1-Hydroxymethyl-propylamino)-5-nitro-nicotinonitrile
TL;DR: 2-(1-Hydroxymethyl-propylamino)-5-nitro-nicotinonitrile (CAS 180424-16-2) is a chemical compound with molecular formula C10H12N4O3 and molecular weight 236.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-hydroxybutan-2-ylamino)-5-nitropyridine-3-carbonitrile
Also Known As: AH-262/37093033, 2-((1-hydroxybutan-2-yl)amino)-5-nitronicotinonitrile, 2-(1-Hydroxymethyl-propylamino)-5-nitro-nicotinonitrile, 2-{[1-(hydroxymethyl)propyl]amino}-5-nitronicotinonitrile, 2-(1-hydroxybutan-2-ylamino)-5-nitropyridine-3-carbonitrile
| Molecular Formula | C10H12N4O3 |
|---|---|
| Molecular Weight | 236.09 g/mol |
| LogP | 1.04428 |
| Topological Polar Surface Area | 112.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.09094 |
| Heavy Atoms | 17 |
| Complexity | 451.3545 |
Chemical Identifiers
| CAS Number | 180424-16-2 |
|---|---|
| SMILES | CCC(CO)NC1=C(C=C(C=N1)[N+](=O)[O-])C#N |
Product Overview
2-(1-Hydroxymethyl-propylamino)-5-nitro-nicotinonitrile (CAS 180424-16-2), with molecular formula C10H12N4O3 and molecular weight 236.09 g/mol. IUPAC: 2-(1-hydroxybutan-2-ylamino)-5-nitropyridine-3-carbonitrile.
Chemical Property Profile of 2-(1-Hydroxymethyl-propylamino)-5-nitro-nicotinonitrile
Property Insights of 2-(1-Hydroxymethyl-propylamino)-5-nitro-nicotinonitrile
The XLogP value of 1.04428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Hydroxymethyl-propylamino)-5-nitro-nicotinonitrile. The TPSA of 112.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Hydroxymethyl-propylamino)-5-nitro-nicotinonitrile. Following Lipinski's Rule of Five, 2-(1-Hydroxymethyl-propylamino)-5-nitro-nicotinonitrile has 2 hydrogen bond donor(s) and 6 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-(1-Hydroxymethyl-propylamino)-5-nitro-nicotinonitrile?
The CAS number of 2-(1-Hydroxymethyl-propylamino)-5-nitro-nicotinonitrile is 180424-16-2.
What is the molecular formula of 2-(1-Hydroxymethyl-propylamino)-5-nitro-nicotinonitrile?
The molecular formula of 2-(1-Hydroxymethyl-propylamino)-5-nitro-nicotinonitrile is C10H12N4O3.
What is the molecular weight of 2-(1-Hydroxymethyl-propylamino)-5-nitro-nicotinonitrile?
The molecular weight of 2-(1-Hydroxymethyl-propylamino)-5-nitro-nicotinonitrile is 236.09 g/mol.
Where can I buy 2-(1-Hydroxymethyl-propylamino)-5-nitro-nicotinonitrile?
You can request a quote for 2-(1-Hydroxymethyl-propylamino)-5-nitro-nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Hydroxymethyl-propylamino)-5-nitro-nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Hydroxymethyl-propylamino)-5-nitro-nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.