Ethyl Pyrazine-2-carboxylate - CAS 6924-68-1

Catalog:	BB033745
Product Name:	Ethyl Pyrazine-2-carboxylate
CAS:	6924-68-1
Synonyms:	2-pyrazinecarboxylic acid ethyl ester; ethyl pyrazine-2-carboxylate

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Computed Properties

IUPAC Name:	ethyl pyrazine-2-carboxylate
Description:	Ethyl Pyrazine-2-carboxylate (CAS# 6924-68-1) is a compound useful in organic synthesis.
Molecular Weight:	152.15
Molecular Formula:	C7H8N2O2
Canonical SMILES:	CCOC(=O)C1=NC=CN=C1
InChI:	InChI=1S/C7H8N2O2/c1-2-11-7(10)6-5-8-3-4-9-6/h3-5H,2H2,1H3
InChI Key:	SZYQPTAROQANMV-UHFFFAOYSA-N
Boiling Point:	236.8 °C at 760 mmHg
Density:	1.167 g/cm³
MDL:	MFCD00792887
LogP:	0.65330

Publication Number	Title	Priority Date
CN-113480543-A	2,6, 8-polysubstituted imidazo [1,2-a ] pyrazine and synthetic method and application thereof	20210707
CN-111559983-A	Continuous hydrogenation method of pyrazine-2-ethyl formate and application thereof	20200715
CN-111559983-B	Continuous hydrogenation method of pyrazine-2-ethyl formate and application thereof	20200715
CN-113429410-A	Polyheterocyclic substituted pyrimidine or pyridylamine derivatives, compositions and medical uses thereof	20200323
EP-3875452-A1	Monoacylglycerol lipase inhibitors	20200304

PMID	Publication Date	Title	Journal
27449999	20160701	Antimycobacterial activity of pyrazinoate prodrugs in replicating and non-replicating Mycobacterium tuberculosis	Tuberculosis (Edinburgh, Scotland)

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[70199-62-1]
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.058577502
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	152.058577502
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3