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306935-31-9,MFCD00830967
Catalog No.:AA0030RU

306935-31-9 | 3-Pyridinecarboxylic acid, 5-(1-hexyn-1-yl)-

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Technical Information
Catalog Number:
AA0030RU
Chemical Name:
3-Pyridinecarboxylic acid, 5-(1-hexyn-1-yl)-
CAS Number:
306935-31-9
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD00830967
SMILES:
CCCCC#Cc1cncc(c1)C(=O)O
Properties
Computed Properties
 
Complexity:
274  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
2.7  

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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