5-Fluoro-6-methoxypyridine-3-boronic Acid - CAS 856250-60-7

Catalog:	BB037668
Product Name:	5-Fluoro-6-methoxypyridine-3-boronic Acid
CAS:	856250-60-7
Synonyms:	(5-fluoro-6-methoxy-3-pyridinyl)boronic acid; (5-fluoro-6-methoxypyridin-3-yl)boronic acid

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Computed Properties

IUPAC Name:	(5-fluoro-6-methoxypyridin-3-yl)boronic acid
Description:	5-Fluoro-6-methoxypyridine-3-boronic Acid (CAS# 856250-60-7) is a useful research chemical.
Molecular Weight:	170.93
Molecular Formula:	C6H7FNO3B
Canonical SMILES:	B(C1=CC(=C(N=C1)OC)F)(O)O
InChI:	InChI=1S/C6H7BFNO3/c1-12-6-5(8)2-4(3-9-6)7(10)11/h2-3,10-11H,1H3
InChI Key:	OCWTXKZPAZAQQW-UHFFFAOYSA-N
Boiling Point:	308.3 °C at 760 mmHg
Density:	1.34 g/cm³
LogP:	-1.09090

Publication Number	Title	Priority Date
WO-2021130638-A1	Diacylglycerol kinase modulating compounds	20191224
US-2020360353-A1	Macrocyclic azolopyridine derivatives as eed and prc2 modulators	20190315
TW-202102495-A	Macrocyclic azolopyridine derivatives as eed and prc2 modulators	20190315
US-10973805-B2	Macrocyclic azolopyridine derivatives as EED and PRC2 modulators	20190315
CN-111646973-A	Polysubstituted quinazoline derivative and preparation method, pharmaceutical composition and application thereof	20190304

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.0503014
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	171.0503014
Rotatable Bond Count:	2
Topological Polar Surface Area:	62.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0