5,6-Dichloropyridine-3-boronic Acid - CAS 1072944-15-0
Catalog: |
BB002026 |
Product Name: |
5,6-Dichloropyridine-3-boronic Acid |
CAS: |
1072944-15-0 |
Synonyms: |
(5,6-dichloro-3-pyridinyl)boronic acid; (5,6-dichloropyridin-3-yl)boronic acid |
IUPAC Name: | (5,6-dichloropyridin-3-yl)boronic acid |
Description: | 5,6-Dichloropyridine-3-boronic Acid (CAS# 1072944-15-0) is a useful research chemical. |
Molecular Weight: | 191.81 |
Molecular Formula: | C5H4Cl2NO2B |
Canonical SMILES: | B(C1=CC(=C(N=C1)Cl)Cl)(O)O |
InChI: | InChI=1S/C5H4BCl2NO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2,10-11H |
InChI Key: | DRJYUOQTLCPXHE-UHFFFAOYSA-N |
Boiling Point: | 364.1 °C at 760 mmHg |
Density: | 1.56 g/cm3 |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 0.06820 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2017296289-A1 | 2,5-disubstituted 3-methyl pyrazines and 2,5,6-trisubstituted 3-methyl pyrazines as allosteric SHP2 inhibitors | 20160712 |
CA-3030167-A1 | 2,5-disubstituted 3-methyl pyrazines and 2,5,6-trisubstituted 3-methyl pyrazines as allosteric shp2 inhibitors | 20160712 |
EP-3484856-A1 | 2,5-disubstituted 3-methyl pyrazines and 2,5,6-trisubstituted 3-methyl pyrazines as allosteric shp2 inhibitors | 20160712 |
JP-2019527728-A | 2,5-disubstituted 3-methylpyrazine and 2,5,6-trisubstituted 3-methylpyrazine as allosteric SHP2 inhibitors | 20160712 |
TW-201808931-A | 2,5-disubstituted 3-methylpyrazine and 2,5,6-trisubstituted 3-methylpyrazine as ectopic SHP2 inhibitors | 20160712 |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.9712139 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.9712139 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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