(1H-Imidazol-5-yl)methyl pyridine-4-carboxylate--hydrogen chloride (1/2)
TL;DR: (1H-Imidazol-5-yl)methyl pyridine-4-carboxylate--hydrogen chloride (1/2) (CAS 20062-43-5) is a chemical compound with molecular formula C10H11Cl2N3O2 and molecular weight 275.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-imidazole-1,3-diium-4-ylmethyl pyridine-4-carboxylate dichloride
Also Known As: ISONICOTINIC ACID, IMIDAZOL-4-YLMETHYL ESTER, DIHYDROCHLORIDE, Imidazole-4-methanol, isonicotinate (ester), dihydrochloride, 1H-imidazole-1,3-diium-4-ylmethyl pyridine-4-carboxylate dichloride, (1H-Imidazol-5-yl)methyl pyridine-4-carboxylate--hydrogen chloride (1/2), RefChem:1049398
| Molecular Formula | C10H11Cl2N3O2 |
|---|---|
| Molecular Weight | 275.02 g/mol |
| LogP | -8.23 |
| Topological Polar Surface Area | 69.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.02283 |
| Heavy Atoms | 17 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 20062-43-5 |
|---|---|
| SMILES | C1=CN=CC=C1C(=O)OCC2=C[NH2+]C=[NH+]2.[Cl-].[Cl-] |
| InChIKey | CETWQGYOZMPKGA-UHFFFAOYSA-N |
Product Overview
(1H-Imidazol-5-yl)methyl pyridine-4-carboxylate--hydrogen chloride (1/2) (CAS 20062-43-5), with molecular formula C10H11Cl2N3O2 and molecular weight 275.02 g/mol. IUPAC: 1H-imidazole-1,3-diium-4-ylmethyl pyridine-4-carboxylate dichloride.
Chemical Property Profile of (1H-Imidazol-5-yl)methyl pyridine-4-carboxylate--hydrogen chloride (1/2)
Property Insights of (1H-Imidazol-5-yl)methyl pyridine-4-carboxylate--hydrogen chloride (1/2)
The XLogP value of -8.23 indicates that (1H-Imidazol-5-yl)methyl pyridine-4-carboxylate--hydrogen chloride (1/2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (1H-Imidazol-5-yl)methyl pyridine-4-carboxylate--hydrogen chloride (1/2). Following Lipinski's Rule of Five, (1H-Imidazol-5-yl)methyl pyridine-4-carboxylate--hydrogen chloride (1/2) has 2 hydrogen bond donor(s) and 5 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 (1H-Imidazol-5-yl)methyl pyridine-4-carboxylate--hydrogen chloride (1/2)?
The CAS number of (1H-Imidazol-5-yl)methyl pyridine-4-carboxylate--hydrogen chloride (1/2) is 20062-43-5.
What is the molecular formula of (1H-Imidazol-5-yl)methyl pyridine-4-carboxylate--hydrogen chloride (1/2)?
The molecular formula of (1H-Imidazol-5-yl)methyl pyridine-4-carboxylate--hydrogen chloride (1/2) is C10H11Cl2N3O2.
What is the molecular weight of (1H-Imidazol-5-yl)methyl pyridine-4-carboxylate--hydrogen chloride (1/2)?
The molecular weight of (1H-Imidazol-5-yl)methyl pyridine-4-carboxylate--hydrogen chloride (1/2) is 275.02 g/mol.
Where can I buy (1H-Imidazol-5-yl)methyl pyridine-4-carboxylate--hydrogen chloride (1/2)?
You can request a quote for (1H-Imidazol-5-yl)methyl pyridine-4-carboxylate--hydrogen chloride (1/2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1H-Imidazol-5-yl)methyl pyridine-4-carboxylate--hydrogen chloride (1/2)?
Yes, KEHONG BIO provides custom synthesis services for (1H-Imidazol-5-yl)methyl pyridine-4-carboxylate--hydrogen chloride (1/2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.