methyl 6-(1H-pyrazol-1-yl)nicotinate

Base Information

• Chemical Name: methyl 6-(1H-pyrazol-1-yl)nicotinate
• CAS No.: 321533-62-4
• Molecular Formula: C₁₀H₉N₃O₂
• Molecular Weight: 203.2
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40395801
• Wikidata: Q72496441
• Mol file: 321533-62-4.mol

Synonyms:321533-62-4;methyl 6-(1H-pyrazol-1-yl)nicotinate;6-Pyrazol-1-yl-nicotinic acid methyl ester;Methyl 6-(1H-pyrazol-1-yl)pyridine-3-carboxylate;methyl 6-pyrazol-1-ylpyridine-3-carboxylate;Oprea1_340937;SCHEMBL63835;DTXSID40395801;ZNCLEEDBRQOXRG-UHFFFAOYSA-N;AB1544;MFCD00140746;methyl6-(1H-pyrazol-1-yl)nicotinate;AKOS005084719;2F-318S;SB36579;AC-28103;CS-0072752;FT-0645329;EN300-265737;A821176;J-522513;F2199-0312;Z283573456;5-AMINO-1,2,3-THIADIAZOLE-N-PHENOXYCARBONYL-4-CARBOXYLICACIDETHYLESTER;Methyl 6-(1H-pyrazol-1-yl)nicotinate

Chemical Property of methyl 6-(1H-pyrazol-1-yl)nicotinate

Chemical Property:

• Vapor Pressure: 0.000163mmHg at 25°C
• Refractive Index: 1.613
• Boiling Point: 330.8 °C at 760 mmHg
• PKA: -0.42±0.19(Predicted)
• Flash Point: 153.8 °C
• PSA: 57.01000
• Density: 1.27 g/cm⁴⁸
• LogP: 1.05390
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 203.069476538
• Heavy Atom Count: 15
• Complexity: 235

Purity/Quality:

99% ^*data from raw suppliers

Methyl6-(1H-pyrazol-1-yl)nicotinate ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22
• Safety Statements: 3/9-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CN=C(C=C1)N2C=CC=N2