3,5-Dibromo-2-hydroxypyrazine - CAS 21943-15-7

Catalog:	BB017215
Product Name:	3,5-Dibromo-2-hydroxypyrazine
CAS:	21943-15-7
Synonyms:	3,5-dibromo-1H-pyrazin-2-one

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Computed Properties

IUPAC Name:	3,5-dibromo-1H-pyrazin-2-one
Description:	3,5-Dibromo-pyrazinol ,is a pyrazine derivative that can be used as a potential building block in chemical synthesis. It can also be used in SRN1 mechanism in heteroaromatic nucleophilic substitution.
Molecular Weight:	253.88
Molecular Formula:	C4H2Br2N2O
Canonical SMILES:	C1=C(N=C(C(=O)N1)Br)Br
InChI:	InChI=1S/C4H2Br2N2O/c5-2-1-7-4(9)3(6)8-2/h1H,(H,7,9)
InChI Key:	NHVGHXUOFWEOSN-UHFFFAOYSA-N
Boiling Point:	430.487 °C at 760 mmHg
Purity:	95 %
Density:	2.38 g/cm³
MDL:	MFCD07371406
LogP:	1.70720

Publication Number	Title	Priority Date
WO-2021066958-A1	Inhibitor of btk and mutants thereof	20191005
WO-2019217972-A1	Kdm1a inhibitors for the treatment of disease	20180511
AU-2019265022-A1	KDM1A inhibitors for the treatment of disease	20180511
CA-3103392-A1	Kdm1a inhibitors for the treatment of disease	20180511
CN-112513020-A	KDM1A inhibitors for the treatment of disease	20180511

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GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Complexity:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	253.85134
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	251.85339
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3