2-chloro-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide
TL;DR: 2-chloro-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide (CAS 444938-07-2) is a chemical compound with molecular formula C8H6ClN5O and molecular weight 223.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide
Also Known As: 2-chloro-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide, 2-chloro-N-(4H-1,2,4-triazol-3-yl)pyridine-3-carboxamide, 2-chloro-N-(1H-1,2,4-triazol-3-yl)nicotinamide, 2-chloro-N-(1H-1,2,4-triazol-5-yl)nicotinamide, 2-Chloro-N-(1H-[1,2,4]triazol-3-yl)-nicotinamide
| Molecular Formula | C8H6ClN5O |
|---|---|
| Molecular Weight | 223.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.0261 |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 444938-07-2 |
|---|---|
| SMILES | C1=CC(=C(N=C1)Cl)C(=O)NC2=NC=NN2 |
| InChIKey | KWQLQUCRXPNBLH-UHFFFAOYSA-N |
Product Overview
2-chloro-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide (CAS 444938-07-2), with molecular formula C8H6ClN5O and molecular weight 223.03 g/mol. IUPAC: 2-chloro-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide.
Chemical Property Profile of 2-chloro-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide
Property Insights of 2-chloro-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide. Following Lipinski's Rule of Five, 2-chloro-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide has 2 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-chloro-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide?
The CAS number of 2-chloro-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide is 444938-07-2.
What is the molecular formula of 2-chloro-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide?
The molecular formula of 2-chloro-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide is C8H6ClN5O.
What is the molecular weight of 2-chloro-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide?
The molecular weight of 2-chloro-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide is 223.03 g/mol.
Where can I buy 2-chloro-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide?
You can request a quote for 2-chloro-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.