6-Methoxy-2-methylpyridine-3-boronic Acid - CAS 459856-12-3

Catalog:	BB026048
Product Name:	6-Methoxy-2-methylpyridine-3-boronic Acid
CAS:	459856-12-3
Synonyms:	(6-methoxy-2-methyl-3-pyridinyl)boronic acid; (6-methoxy-2-methylpyridin-3-yl)boronic acid

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Computed Properties

IUPAC Name:	(6-methoxy-2-methylpyridin-3-yl)boronic acid
Description:	6-Methoxy-2-methylpyridine-3-boronic Acid (CAS# 459856-12-3) is a useful research chemical.
Molecular Weight:	166.97
Molecular Formula:	C7H10NO3B
Canonical SMILES:	B(C1=C(N=C(C=C1)OC)C)(O)O
InChI:	InChI=1S/C7H10BNO3/c1-5-6(8(10)11)3-4-7(9-5)12-2/h3-4,10-11H,1-2H3
InChI Key:	CWXWIICBKIHZFC-UHFFFAOYSA-N
Boiling Point:	318.9 °C at 760 mmHg
Density:	1.2 g/cm³
LogP:	-0.92160

Publication Number	Title	Priority Date
US-10195178-B2	GPR40 agonists in anti-diabetic drug combinations	20160411
US-2017290800-A1	Gpr40 agonists in anti-diabetic drug combinations	20160411
WO-2017180457-A1	Gpr40 agonists in anti-diabetic drug combinations	20160411
EP-3294739-A1	Tricyclic compounds as anticancer agents	20150512
EP-3294739-B1	Tricyclic compounds as anticancer agents	20150512

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	145
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.0753733
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	167.0753733
Rotatable Bond Count:	2
Topological Polar Surface Area:	62.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0