2-Chloropyridine-5-boronic Acid Pinacol Ester - CAS 444120-94-9
Catalog: |
BB025601 |
Product Name: |
2-Chloropyridine-5-boronic Acid Pinacol Ester |
CAS: |
444120-94-9 |
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 |
Description: | 2-Chloropyridine-5-boronic Acid Pinacol Ester (CAS# 444120-94-9) is a useful research chemical. |
Molecular Weight: | 239.51 |
Molecular Formula: | C11H15ClNO2B |
Canonical 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 |
MDL: | MFCD03412793 |
LogP: | 2.03420 |
GHS Hazard Statement: | H315 (11.36%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020361939-A1 | Modulators of alpha-1 antitrypsin | 20190514 |
WO-2020247160-A1 | Condensed tryciclic pyrroles as alpha-1 antitrypsin modulators | 20190514 |
WO-2020206588-A1 | Benzethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof | 20190408 |
WO-2020207414-A1 | Benzethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof | 20190408 |
TW-202104208-A | Benzethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof | 20190408 |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.0884366 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.0884366 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 31.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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