3-Methylpyridine-4-boronic Acid - CAS 894808-72-1

Catalog:	BB039498
Product Name:	3-Methylpyridine-4-boronic Acid
CAS:	894808-72-1
Synonyms:	(3-methyl-4-pyridinyl)boronic acid; (3-methylpyridin-4-yl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(3-methylpyridin-4-yl)boronic acid
Description:	3-Methylpyridine-4-boronic Acid (CAS# 894808-72-1) is a useful research chemical.
Molecular Weight:	136.94
Molecular Formula:	C6H8NO2B
Canonical SMILES:	B(C1=C(C=NC=C1)C)(O)O
InChI:	InChI=1S/C6H8BNO2/c1-5-4-8-3-2-6(5)7(9)10/h2-4,9-10H,1H3
InChI Key:	KSERCJHSQPNSJM-UHFFFAOYSA-N
Boiling Point:	323.9 °C at 760 mmHg
Density:	1.18 g/cm³
LogP:	-0.93020

Publication Number	Title	Priority Date
WO-2021120890-A1	Pyrazolyl derivatives useful as anti-cancer agents	20191220
WO-2021124222-A1	Pyrazolyl derivatives useful as anti-cancer agents	20191220
US-2021143335-A1	Organic compound and organic light-emitting element	20191112
WO-2020230136-A1	Acss2 inhibitors and methods of use thereof	20190514
WO-2020223255-A1	3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2	20190429

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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