Ethyl 5-(3-hydroxyprop-1-ynyl)nicotinate

Base Information

• Chemical Name: Ethyl 5-(3-hydroxyprop-1-ynyl)nicotinate
• CAS No.: 175203-66-4
• Molecular Formula: C11H11 N O3
• Molecular Weight: 205.20994
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID20384915
• Wikidata: Q82177365
• ChEMBL ID: CHEMBL1700379
• Mol file: 175203-66-4.mol

Synonyms:175203-66-4;ethyl 5-(3-hydroxyprop-1-ynyl)nicotinate;3-Pyridinecarboxylic acid, 5-(3-hydroxy-1-propyn-1-yl)-, ethyl ester;HMS555P17;ethyl 5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxylate;Maybridge1_005099;Ethyl 5-(3-hydroxyprop-1-yn-1-yl)nicotinate;Oprea1_462174;MLS000860796;CHEMBL1700379;DTXSID20384915;HMS2803N19;CCG-247357;SMR000459580;ETHYL 5-(3-HYDROXYPROP-1-YN-1-YL)PYRIDINE-3-CARBOXYLATE

Chemical Property of Ethyl 5-(3-hydroxyprop-1-ynyl)nicotinate

Chemical Property:

• PSA: 59.42000
• LogP: 0.60210
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 205.07389321
• Heavy Atom Count: 15
• Complexity: 276

Purity/Quality:

99%, ^*data from raw suppliers

Ethyl5-(3-hydroxy-1-propyn-1-yl)nicotinate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CN=CC(=C1)C#CCO