1-Benzyl-5-chloro-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid

Base Information

• Chemical Name: 1-Benzyl-5-chloro-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid
• CAS No.: 338982-47-1
• Molecular Formula: C13H10ClNO3
• Molecular Weight: 263.67
• DSSTox Substance ID: DTXSID401157785
• Mol file: 338982-47-1.mol

Synonyms:338982-47-1;1-benzyl-5-chloro-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid;1-Benzyl-5-chloro-6-oxo-1,6-dihydropyridine-3-carboxylic acid;1-benzyl-5-chloro-6-oxopyridine-3-carboxylic acid;Oprea1_613868;DTXSID401157785;MFCD00232709;AKOS005071180;8E-337S;CS-0332766;1-Benzyl-5-chloro-6-oxo-1,6-dihydropyridine-3-carboxylicacid;1-benzyl-5-chloro-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid, AldrichCPR;5-Chloro-1,6-dihydro-6-oxo-1-(phenylmethyl)-3-pyridinecarboxylic acid

Chemical Property of 1-Benzyl-5-chloro-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid

Chemical Property:

• PKA: 3.41±0.50(Predicted)
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 263.0349209
• Heavy Atom Count: 18
• Complexity: 422

Purity/Quality:

98%min ^*data from raw suppliers

1-Benzyl-5-chloro-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C=C(C=C(C2=O)Cl)C(=O)O

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