2-Methoxy-4-pyridineboronic Acid - CAS 762262-09-9

Catalog:	BB035525
Product Name:	2-Methoxy-4-pyridineboronic Acid
CAS:	762262-09-9
Synonyms:	(2-methoxy-4-pyridinyl)boronic acid; (2-methoxypyridin-4-yl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(2-methoxypyridin-4-yl)boronic acid
Description:	2-Methoxy-4-pyridineboronic Acid (CAS# 762262-09-9) is a coupling reagent used in the synthesis of effacacious pyrrolopyridazines used as JAK1/3 inhibitors.
Molecular Weight:	152.94
Molecular Formula:	C6H8NO3B
Canonical SMILES:	B(C1=CC(=NC=C1)OC)(O)O
InChI:	InChI=1S/C6H8BNO3/c1-11-6-4-5(7(9)10)2-3-8-6/h2-4,9-10H,1H3
InChI Key:	DHQMUJSACXTPEA-UHFFFAOYSA-N
Boiling Point:	325.7 °C at 760 mmHg
Density:	1.24 g/cm³
MDL:	MFCD07368877
LogP:	-1.23000

Publication Number	Title	Priority Date
CN-113354651-A	Pyrazolo [1,5-a ] quinazoline derivative and application thereof in preparation of medicines	20200730
WO-2021203025-A1	1 h-pyrazolo[4,3-g]isoquinoline and 1 h-pyrazolo[4,3-g]quinoline derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd)	20200403
WO-2021201036-A1	Hydroxypyrrolidine derivative and medicinal application thereof	20200331
WO-2021195066-A2	Kcnt1 inhibitors and methods of use	20200323
WO-2021178780-A1	Indazoles and azaindazoles as lrrk2 inhibitors	20200306

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GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.0597233
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	153.0597233
Rotatable Bond Count:	2
Topological Polar Surface Area:	62.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0