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

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Computed Properties

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

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

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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

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