4-(trifluoromethyl)pyridine-3-boronic acid hydrate
Product Information
Molecular Formula
C6H7BF3NO3
Molecular Weight
208.93
Description
4-(trifluoromethyl)pyridine-3-boronic acid hydrate is an essential compound in the biomedical industry. This product is utilized as a versatile building block in the synthesis of pharmaceutical drugs targeting various diseases.
Synonyms
(4-(Trifluoromethyl)pyridin-3-yl)boronic acid hydrate; (4-(Trifluoromethyl)pyridin-3-yl)boronicacidhydrate; [4-(trifluoromethyl)pyridin-3-yl]boronic acid; hydrate; [4-(Trifluoromethyl)pyridin-3-yl]boronic acid--water (1/1); 4-(trifluoromethyl)pyridine-3-boronic acid hydrate
IUPAC Name
[4-(trifluoromethyl)pyridin-3-yl]boronic acidhydrate
SMILES
B(C1=C(C=CN=C1)C(F)(F)F)(O)O.O
InChI
InChI=1S/C6H5BF3NO2.H2O/c8-6(9,10)4-1-2-11-3-5(4)7(12)13/h1-3,12-13H1H2
InChI Key
CKGIYHYJVBVRFH-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H319
Precautionary Statement
P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
1
Exact Mass
209.0471077 g/mol
Monoisotopic Mass
209.0471077 g/mol
Topological Polar Surface Area
54.4Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
176
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes
