Methyl 5-Bromopyrazine-2-carboxylate - CAS 210037-58-4

Catalog:	BB016529
Product Name:	Methyl 5-Bromopyrazine-2-carboxylate
CAS:	210037-58-4
Synonyms:	5-bromo-2-pyrazinecarboxylic acid methyl ester; methyl 5-bromopyrazine-2-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 5-bromopyrazine-2-carboxylate
Description:	Methyl 5-Bromopyrazine-2-carboxylate (CAS# 210037-58-4) is a useful research chemical.
Molecular Weight:	217.02
Molecular Formula:	C6H5BrN2O2
Canonical SMILES:	COC(=O)C1=CN=C(C=N1)Br
InChI:	InChI=1S/C6H5BrN2O2/c1-11-6(10)4-2-9-5(7)3-8-4/h2-3H,1H3
InChI Key:	PVTAJWAGBTWOPG-UHFFFAOYSA-N
Boiling Point:	289 °C at 760 mmHg
Density:	1.669 g/cm³
Appearance:	Powder
MDL:	MFCD09991715
LogP:	1.02570

Publication Number	Title	Priority Date
US-2020231584-A1	PCSK9 Inhibitors and Methods of Use Thereof	20190118
US-2020291041-A1	PCSK9 Inhibitors and Methods of Use Thereof	20190118
WO-2020150473-A2	Pcsk9 inhibitors and methods of use thereof	20190118
WO-2020150474-A1	Pcsk9 inhibitors and methods of use thereof	20190118
TW-202042817-A	Pcsk9 inhibitors and methods of use thereof	20190118

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.95344
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	215.95344
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5