5-Bromo-3-methylpyrazin-2-ol - CAS 100047-56-1

Catalog:	BB000034
Product Name:	5-Bromo-3-methylpyrazin-2-ol
CAS:	100047-56-1
Synonyms:	5-bromo-3-methyl-1H-pyrazin-2-one; 5-bromo-3-methyl-1H-pyrazin-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	5-bromo-3-methyl-1H-pyrazin-2-one
Description:	5-Bromo-3-methylpyrazin-2-ol (CAS# 100047-56-1 ) is a useful research chemical.
Molecular Weight:	189.01
Molecular Formula:	C5H5BrN2O
Canonical SMILES:	CC1=NC(=CNC1=O)Br
InChI:	InChI=1S/C5H5BrN2O/c1-3-5(9)7-2-4(6)8-3/h2H,1H3,(H,7,9)
InChI Key:	RNHAEGVBHQSLFS-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	0.84080

Publication Number	Title	Priority Date
WO-2020147739-A1	Lysophosphatidic acid receptor antagonists and preparation method therefor	20190115
CN-112771027-A	Lysophosphatidic acid receptor antagonists and process for their preparation	20190115
CA-2983674-A1	Heterocyclic compounds and their use in preventing or treating bacterial infections	20150507
JP-2014118368-A	A hypoglycemic agent containing an azaspiroalkane compound as an active ingredient	20121214
WO-2013055910-A1	Modulators of the gpr119 receptor and the treatment of disorders related thereto	20111012

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Complexity:	207
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.95853
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	187.95853
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2