7-Bromo-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one - CAS 105544-36-3

Name: 7-Bromo-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB001667
Product Name:	7-Bromo-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one
CAS:	105544-36-3
Synonyms:	7-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	7-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one
Description:	7-Bromo-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one (CAS# 105544-36-3) is a useful research chemical.
Molecular Weight:	229.03
Molecular Formula:	C7H5BrN2O2
Canonical SMILES:	C1C(=O)NC2=CC(=CN=C2O1)Br
InChI:	InChI=1S/C7H5BrN2O2/c8-4-1-5-7(9-2-4)12-3-6(11)10-5/h1-2H,3H2,(H,10,11)
InChI Key:	UTPFXZJAASMEDW-UHFFFAOYSA-N
Boiling Point:	398.8 °C at 760 mmHg
Purity:	95 %
Density:	1.772 g/cm³
Appearance:	Solid
MDL:	MFCD01648627
LogP:	1.31300

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Related Functional Groups

Pyridines

[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1951441-75-0]C8H13ClN2O
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride
[76167-49-2]C11H10N2O
2-(Pyridin-3-yloxy)aniline
[871507-15-2]C23H18N2O2
2-(Pyridin-4-yl)-1-(4-(quinolin-2-ylmethoxy)phenyl)ethan-1-one
[942206-23-7]C5H2Cl2IN
2,5-Dichloro-3-iodopyridine

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2020146858-A1	Heteroaryl compounds as necrosis inhibitors, composition and method using the same	20190111
WO-2019238067-A1	Pyrrolo [2, 3-b] pyridines or pyrrolo [2, 3-b] pyrazines as hpk1 inhibitor and the use thereof	20180613
TW-202016109-A	Pyrrolo[2,3-B]pyridine or pyrrolo[2,3-B]pyrazine as an HPK1 inhibitor and uses thereof	20180613
CN-112243439-A	Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof	20180613
WO-2019126731-A1	Aminopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors	20171222

Complexity:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	227.95344
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	227.95344
Rotatable Bond Count:	0
Topological Polar Surface Area:	51.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8