Home Boronic Acids 1141886-36-3
1141886-36-3,MFCD12964544
Catalog No.:AA000AO8
1141886-36-3 | 5-Fluoro-1,6-dihydro-6-oxopyridine-3-boronic acid
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Technical Information
Catalog Number:
AA000AO8
Chemical Name:
5-Fluoro-1,6-dihydro-6-oxopyridine-3-boronic acid
CAS Number:
1141886-36-3
Molecular Formula:
C5H5BFNO3
Molecular Weight:
156.9075
MDL Number:
MFCD12964544
IUPAC Name:
(5-fluoro-6-oxo-1H-pyridin-3-yl)boronic acid
InChI:
InChI=1S/C5H5BFNO3/c7-4-1-3(6(10)11)2-8-5(4)9/h1-2,10-11H,(H,8,9)
InChI Key:
RNRSXDBJJSBHFY-UHFFFAOYSA-N
SMILES:
OB(c1c[nH]c(=O)c(c1)F)O
Properties
Computed Properties
 
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.035g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
156.907g/mol
Monoisotopic Mass:
157.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1141886-36-3 
(5-Fluoro-6-hydroxypyridin-3-yl)boronic acid 
AKOS026743239 
ZINC169982765 
RL00554 
3-Fluoro-2-hydroxypyridine-5-boronic acid 
TC-151528 
4CH-005106 
FT-0732849 
A-9242 
5-Fluoro-6-oxo-1,6-dihydropyridine-3-boronic Acid 
J-517538 
5-fluoro-6-hydroxypyridin-3-ylboronic acid 
ACN-029482 
Boronic acid, B-(5-fluoro-1,6-dihydro-6-oxo-3-pyridinyl)- 
(5-Fluoro-6-oxo-1,6-dihydropyridin-3-yl)boronic acid 
C5H5BFNO3 
CTK8B9617 
DTXSID60725469 
2361AA 
ANW-62783 
AKOS016004338 
Literature
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