3-Methylpyridine-2-boronic Acid - CAS 930303-26-7

Catalog:	BB040746
Product Name:	3-Methylpyridine-2-boronic Acid
CAS:	930303-26-7
Synonyms:	(3-methyl-2-pyridinyl)boronic acid; (3-methylpyridin-2-yl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(3-methylpyridin-2-yl)boronic acid
Description:	3-Methylpyridine-2-boronic Acid (CAS# 930303-26-7) is a useful research chemical.
Molecular Weight:	136.94
Molecular Formula:	C6H8NO2B
Canonical SMILES:	B(C1=C(C=CC=N1)C)(O)O
InChI:	InChI=1S/C6H8BNO2/c1-5-3-2-4-8-6(5)7(9)10/h2-4,9-10H,1H3
InChI Key:	RXEAFZXYIBHWII-UHFFFAOYSA-N
Boiling Point:	323.9 °C at 760 mmHg
Density:	1.18 g/cm³
LogP:	-0.93020

Publication Number	Title	Priority Date
WO-2019121840-A1	Pyrazolo[3,4-b]pyridines and imidazo[1,5-b]pyridazines as pde1 inhibitors	20171220
CN-111511742-A	Pyrazolo [3,4-b ] pyridines and imidazo [1,5-b ] pyridazines as PDE1 inhibitors	20171220
EP-3728250-A1	PYRAZOLO[3,4-beta]PYRIDINES AND IMIDAZO[1,5-beta]PYRIDAZINES AS PDE1 INHIBITORS	20171220
US-2021009571-A1	Pyrazolo[3,4-b]pyridines and imidazo[1,5-b]pyridazines as pde1 inhibitors	20171220
AU-2017278102-A1	Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto	20160606

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GHS Hazard Statement:	H315 (100%): 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

Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	137.0648087
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	137.0648087
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0