2-((4-Pyridinylmethylene)amino)benzonitrile monohydrochloride
TL;DR: 2-((4-Pyridinylmethylene)amino)benzonitrile monohydrochloride (CAS 75273-91-5) is a chemical compound with molecular formula C13H10ClN3 and molecular weight 243.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(pyridin-4-ylmethylideneamino)benzonitrile;hydrochloride
Also Known As: 2-((4-Pyridinylmethylene)amino)benzonitrile monohydrochloride, Benzonitrile, 2-((4-pyridinylmethylene)amino)-, monohydrochloride, 2-(pyridin-4-ylmethylideneamino)benzonitrile hydrochloride, 2-(pyridin-4-ylmethylideneamino)benzonitrile,hydrochloride
| Molecular Formula | C13H10ClN3 |
|---|---|
| Molecular Weight | 243.06 g/mol |
| LogP | 3.12568 |
| Topological Polar Surface Area | 49.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.05632 |
| Heavy Atoms | 17 |
| Complexity | 544.09106 |
Chemical Identifiers
| CAS Number | 75273-91-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)N=CC2=CC=NC=C2.Cl |
Product Overview
2-((4-Pyridinylmethylene)amino)benzonitrile monohydrochloride (CAS 75273-91-5), with molecular formula C13H10ClN3 and molecular weight 243.06 g/mol. IUPAC: 2-(pyridin-4-ylmethylideneamino)benzonitrile;hydrochloride.
Chemical Property Profile of 2-((4-Pyridinylmethylene)amino)benzonitrile monohydrochloride
Property Insights of 2-((4-Pyridinylmethylene)amino)benzonitrile monohydrochloride
The XLogP value of 3.12568 indicates that 2-((4-Pyridinylmethylene)amino)benzonitrile monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.04 Ų, 2-((4-Pyridinylmethylene)amino)benzonitrile monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Pyridinylmethylene)amino)benzonitrile monohydrochloride has 0 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-((4-Pyridinylmethylene)amino)benzonitrile monohydrochloride?
The CAS number of 2-((4-Pyridinylmethylene)amino)benzonitrile monohydrochloride is 75273-91-5.
What is the molecular formula of 2-((4-Pyridinylmethylene)amino)benzonitrile monohydrochloride?
The molecular formula of 2-((4-Pyridinylmethylene)amino)benzonitrile monohydrochloride is C13H10ClN3.
What is the molecular weight of 2-((4-Pyridinylmethylene)amino)benzonitrile monohydrochloride?
The molecular weight of 2-((4-Pyridinylmethylene)amino)benzonitrile monohydrochloride is 243.06 g/mol.
Where can I buy 2-((4-Pyridinylmethylene)amino)benzonitrile monohydrochloride?
You can request a quote for 2-((4-Pyridinylmethylene)amino)benzonitrile monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Pyridinylmethylene)amino)benzonitrile monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Pyridinylmethylene)amino)benzonitrile monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.