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Home Carboxys 3-Pyridinecarboxylic acid, 5-(1-hexyn-1-yl)-

3-Pyridinecarboxylic acid, 5-(1-hexyn-1-yl)-

CAS No.:
306935-31-9
Catalog Number:
AG0030UM
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
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Product Description
Catalog Number:
AG0030UM
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
IUPAC Name:
5-hex-1-ynylpyridine-3-carboxylic acid
InChI:
InChI=1S/C12H13NO2/c1-2-3-4-5-6-10-7-11(12(14)15)9-13-8-10/h7-9H,2-4H2,1H3,(H,14,15)
InChI Key:
FKWDNFDBDZUPIQ-UHFFFAOYSA-N
SMILES:
CCCCC#Cc1cncc(c1)C(=O)O
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties