5-Chloropyridine-3-boronic Acid - CAS 872041-85-5
Catalog: |
BB038332 |
Product Name: |
5-Chloropyridine-3-boronic Acid |
CAS: |
872041-85-5 |
Synonyms: |
(5-chloro-3-pyridinyl)boronic acid; (5-chloropyridin-3-yl)boronic acid |
IUPAC Name: | (5-chloropyridin-3-yl)boronic acid |
Description: | 5-Chloro-3-pyridineboronic acid can be used as an intermediate: In the preparation of positron emission tomography (PET) radioligand [11C]MK-1064, which is applicable in the orexin-2 receptor imaging; In the synthesis of orexin 2 receptor antagonist (2-SORA) MK-1064; In the preparation of pyridyl-cycloalkyl derived microsomal prostaglandin E synthase-1 inhibitors; In the synthesis of ATAD2 bromodomain inhibitors. |
Molecular Weight: | 157.36 |
Molecular Formula: | C5H5ClNO2B |
Canonical SMILES: | B(C1=CC(=CN=C1)Cl)(O)O |
InChI: | InChI=1S/C5H5BClNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3,9-10H |
InChI Key: | NJXYBTMCTZAUEE-UHFFFAOYSA-N |
Boiling Point: | 335.3 ℃ at 760 mmHg |
Melting Point: | 255-260 ℃ |
Flash Point: | Not applicable |
Purity: | ≥ 95 % |
Density: | 1.41 g/cm3 |
Storage: | 2-8 ℃ |
MDL: | MFCD06798243 |
LogP: | -0.58520 |
GHS Hazard Statement: | H315 (97.83%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112961147-A | Nitrogen-containing compound and organic electroluminescent device thereof | 20210209 |
CN-110963961-A | Electron transport material and application thereof, and organic electroluminescent diode | 20191206 |
WO-2021076945-A1 | Tropolone derivatives and tautomers thereof for iron regulation in animals | 20191016 |
WO-2021032992-A1 | Pharmaceutical compounds | 20190820 |
WO-2021007477-A1 | Indazoles and azaindazoles as lrrk2 inhibitors | 20190711 |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.0101863 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.0101863 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Boronic Acids and Esters
Customers Also Viewed
-
[3886-90-6]
N,N-dimethyloctadecanamide
-
[4706-78-9]
Potassium lauryl sulfate
-
[1427004-19-0]
DBCO-PEG4-NHS ester
-
[24292-52-2]
Hesperidin methyl chalcone
-
[132182-92-4]
Pentane, 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)-
-
[52236-30-3]
Metribuzin-desamino-diketo
INDUSTRY LEADERS TRUST OUR PRODUCTS