2-Bromo-5-hydroxypyrazine - CAS 374063-92-0

Catalog:	BB023273
Product Name:	2-Bromo-5-hydroxypyrazine
CAS:	374063-92-0
Synonyms:	2(1H)-Pyrazinone, 5-bromo-; 5-Bromo-2(1H)-pyrazinone; 5-Bromopyrazin-2(1H)-one; 5-Bromopyrazin-2-ol

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-1H-pyrazin-2-one
Molecular Weight:	174.98
Molecular Formula:	C4H3BrN2O
Canonical SMILES:	C1=C(N=CC(=O)N1)Br
InChI:	InChI=1S/C4H3BrN2O/c5-3-1-7-4(8)2-6-3/h1-2H,(H,7,8)
InChI Key:	ITTXBHQAWOFJAI-UHFFFAOYSA-N
Boiling Point:	444 °C at 760 mmHg
Melting Point:	115-116°C
Purity:	≥95%
Density:	2.00±0.1 g/cm3
Solubility:	Soluble in Cyclohexane
Appearance:	White to Light Brown Crystalline Powder
Storage:	Store at RT
MDL:	MFCD06245330
LogP:	0.94470

Publication Number	Title	Priority Date
CN-111471025-A	Favipiravir intermediate and synthesis method of favipiravir	20200326
CN-113045505-A	Favipiravir intermediate and synthesis method of favipiravir	20200326
WO-2021149767-A1	Heterocyclic derivative	20200122
WO-2021070132-A1	Bi-aryl dihydroorotate dehydrogenase inhibitors	20191010
WO-2020215094-A1	Substituted 2-amino-pyrazolyl-[1,2,4]triazolo[1,5a] pyridine derivatives and use thereof	20190418

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GHS Hazard Statement:	H302 (95.24%): 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:	173
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.94288
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	173.94288
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2