6-Ethynylpyridine-3-carboxylic acid

Base Information

• Chemical Name: 6-Ethynylpyridine-3-carboxylic acid
• CAS No.: 450368-21-5
• Molecular Formula: C8H5 N O2
• Molecular Weight: 147.1308
• European Community (EC) Number: 968-384-0
• DSSTox Substance ID: DTXSID80590919
• Wikidata: Q82484535
• Mol file: 450368-21-5.mol

Synonyms:6-ethynylpyridine-3-carboxylic acid;450368-21-5;6-ethynylnicotinic acid;3-Pyridinecarboxylic acid, 6-ethynyl- (9CI);6-Ethynylnicotinicacid;SCHEMBL7611057;DTXSID80590919;MFCD11109685;AKOS006240032;PB42839;PS-15708;CS-0332154;EN300-69433;P18107

Chemical Property of 6-Ethynylpyridine-3-carboxylic acid

Chemical Property:

• PSA: 50.19000
• LogP: 0.76110
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 147.032028402
• Heavy Atom Count: 11
• Complexity: 203

Purity/Quality:

98%min ^*data from raw suppliers

6-ethynylpyridine-3-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC1=NC=C(C=C1)C(=O)O