5-Chloropyridine-3-carbohydrazide

Base Information

• Chemical Name: 5-Chloropyridine-3-carbohydrazide
• CAS No.: 117830-18-9
• Molecular Formula: C6H6 Cl N3 O
• Molecular Weight: 171.58
• DSSTox Substance ID: DTXSID20560373
• Wikidata: Q82443493
• Mol file: 117830-18-9.mol

Synonyms:117830-18-9;5-Chloropyridine-3-carbohydrazide;3-Pyridinecarboxylicacid, 5-chloro-, hydrazide;5-chloronicotinohydrazide;3-Pyridinecarboxylicacid,5-chloro-,hydrazide(9CI);SCHEMBL14696916;DTXSID20560373;SMUTWNZQWOJRDN-UHFFFAOYSA-N

Chemical Property of 5-Chloropyridine-3-carbohydrazide

Chemical Property:

• PKA: 10?+-.0.10(Predicted)
• PSA: 71.50000
• Density: 1.404±0.06 g/cm3(Predicted)
• LogP: 1.61360
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 171.0199395
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

5-chloro-3-Pyridinecarboxylicacidhydrazide 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC=C1Cl)C(=O)NN

Technology Process of 5-Chloropyridine-3-carbohydrazide

There total 4 articles about 5-Chloropyridine-3-carbohydrazide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

5-chloro-nicotinic acid ethyl ester (20825-98-3) → 5-chloropyridine-3-carbohydrazide (117830-18-9)

Guidance literature:

With hydrazine hydrate; In isopropyl alcohol; at 100 ℃; for 48h;

Reference yield: 50.0%

methyl 5-chloropyridine-3-carboxylate (51269-81-9) → 5-chloropyridine-3-carbohydrazide (117830-18-9)

Guidance literature:

With hydrazine; In methanol; at 70 ℃;

DOI:10.1021/jm400870h

Reference yield:

5-chloronicotinic acid (22620-27-5) → 5-chloropyridine-3-carbohydrazide (117830-18-9)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid / methanol / 70 °C

2: hydrazine / methanol / 70 °C

With sulfuric acid; hydrazine; In methanol;

upstream raw materials:

5-chloro-nicotinic acid ethyl ester

5-chloronicotinic acid

methyl 5-chloropyridine-3-carboxylate

Downstream raw materials:

C₁₃H₁₂ClN₃O₃S