2-Chloropyridine-5-boronic Acid Pinacol Ester
Product Information
Molecular Formula
C11H15ClNO2B
Molecular Weight
239.51
Description
2-Chloropyridine-5-boronic Acid Pinacol Ester (CAS# 444120-94-9) is a useful research chemical.
Synonyms
2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC Name
2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)Cl
InChI
InChI=1S/C11H15BClNO2/c1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8/h5-7H,1-4H3
InChI Key
IEFBTHROULVUAH-UHFFFAOYSA-N
Boiling Point
328.3 °C at 760 mmHg
Melting Point
86-90 °C
Purity
97 %
Density
1.14 g/cm3
Appearance
White crystalline powder
LogP
2.03420
Safety Information
Hazards
H319
Precautionary Statement
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
239.0884366 g/mol
Monoisotopic Mass
239.0884366 g/mol
Topological Polar Surface Area
31.4Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
257
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
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2021221169-A1 | Pyrimidin-4(3h)-one derivatives as trpv4 antagonists | 2020-04-30 |
| TW-202132307-A | Heterocyclic rip1 inhibitory compounds | 2019-11-07 |
| US-2020361939-A1 | Modulators of alpha-1 antitrypsin | 2019-05-14 |
| WO-2020247160-A1 | Condensed tryciclic pyrroles as alpha-1 antitrypsin modulators | 2019-05-14 |
| AU-2020286424-A1 | Condensed tricyclic pyrroles as alpha-1 antitrypsin Modulators | 2019-05-14 |
| CN-114096542-A | Condensed tricyclic pyrroles as alpha-1 antitrypsin modulators | 2019-05-14 |
| WO-2020206588-A1 | Benzethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof | 2019-04-08 |
| WO-2020207414-A1 | Benzethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof | 2019-04-08 |
| TW-202104208-A | Benzethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof | 2019-04-08 |
| EP-3953347-A1 | Benzethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof | 2019-04-08 |
