(((5-Bromo-2-pyridyl)amino)methylene)methane-1,1-dicarbonitrile
TL;DR: (((5-Bromo-2-pyridyl)amino)methylene)methane-1,1-dicarbonitrile (CAS 102781-26-0) is a chemical compound with molecular formula C9H5BrN4 and molecular weight 247.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(5-bromo-2-pyridinyl)amino]methylidene]propanedinitrile
Also Known As: (((5-BROMO-2-PYRIDYL)AMINO)METHYLENE)METHANE-1,1-DICARBONITRILE, 2-[[(5-bromopyridin-2-yl)amino]methylidene]propanedinitrile, 2-[(5-Bromo-pyridin-2-ylamino)-methylene]-malononitrile, 2-{[(5-bromopyridin-2-yl)amino]methylidene}propanedinitrile, 2-[(5-Bromopyridin-2-ylamino)-methylene]-malononitrile
| Molecular Formula | C9H5BrN4 |
|---|---|
| Molecular Weight | 247.97 g/mol |
| LogP | 2.18706 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.96976 |
| Heavy Atoms | 14 |
| Complexity | 405.61057 |
Chemical Identifiers
| CAS Number | 102781-26-0 |
|---|---|
| SMILES | C1=CC(=NC=C1Br)NC=C(C#N)C#N |
Product Overview
(((5-Bromo-2-pyridyl)amino)methylene)methane-1,1-dicarbonitrile (CAS 102781-26-0), with molecular formula C9H5BrN4 and molecular weight 247.97 g/mol. IUPAC: 2-[[(5-bromo-2-pyridinyl)amino]methylidene]propanedinitrile.
Chemical Property Profile of (((5-Bromo-2-pyridyl)amino)methylene)methane-1,1-dicarbonitrile
Property Insights of (((5-Bromo-2-pyridyl)amino)methylene)methane-1,1-dicarbonitrile
The XLogP value of 2.18706 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (((5-Bromo-2-pyridyl)amino)methylene)methane-1,1-dicarbonitrile. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (((5-Bromo-2-pyridyl)amino)methylene)methane-1,1-dicarbonitrile. Following Lipinski's Rule of Five, (((5-Bromo-2-pyridyl)amino)methylene)methane-1,1-dicarbonitrile has 1 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 (((5-Bromo-2-pyridyl)amino)methylene)methane-1,1-dicarbonitrile?
The CAS number of (((5-Bromo-2-pyridyl)amino)methylene)methane-1,1-dicarbonitrile is 102781-26-0.
What is the molecular formula of (((5-Bromo-2-pyridyl)amino)methylene)methane-1,1-dicarbonitrile?
The molecular formula of (((5-Bromo-2-pyridyl)amino)methylene)methane-1,1-dicarbonitrile is C9H5BrN4.
What is the molecular weight of (((5-Bromo-2-pyridyl)amino)methylene)methane-1,1-dicarbonitrile?
The molecular weight of (((5-Bromo-2-pyridyl)amino)methylene)methane-1,1-dicarbonitrile is 247.97 g/mol.
Where can I buy (((5-Bromo-2-pyridyl)amino)methylene)methane-1,1-dicarbonitrile?
You can request a quote for (((5-Bromo-2-pyridyl)amino)methylene)methane-1,1-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (((5-Bromo-2-pyridyl)amino)methylene)methane-1,1-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (((5-Bromo-2-pyridyl)amino)methylene)methane-1,1-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.