Methyl 2-pyrazinecarboxylate - CAS 6164-79-0

Catalog:	BB031212
Product Name:	Methyl 2-pyrazinecarboxylate
CAS:	6164-79-0
Synonyms:	methyl pyrazine-2-carboxylate

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	methyl pyrazine-2-carboxylate
Description:	Methyl 2-pyrazinecarboxylate (CAS# 6164-79-0) is a useful research chemical.
Molecular Weight:	138.12
Molecular Formula:	C6H6N2O2
Canonical SMILES:	COC(=O)C1=NC=CN=C1
InChI:	InChI=1S/C6H6N2O2/c1-10-6(9)5-4-7-2-3-8-5/h2-4H,1H3
InChI Key:	TWIIRMSFZNYMQE-UHFFFAOYSA-N
Boiling Point:	220.4 °C at 760 mmHg
Purity:	97 %
Density:	1.213 g/cm³
MDL:	MFCD00014611
LogP:	0.26320

Publication Number	Title	Priority Date
CN-111500614-A	Plasmid for efficiently catalyzing L-threonine to synthesize 2,5-DMP (dimethyl formamide) and construction and application thereof	20200519
WO-2021143924-A1	Boric acid derivative	20200119
WO-2021078174-A1	Chiral sulfur oxide-containing aryl formamide compound and salt thereof, preparation method therefor, herbicidal composition, and application	20191023
WO-2021067943-A1	Piezo1 agonists for the promotion of bone formation	20191004
CN-110372681-A	A kind of application of the self-assembled nanometer fluorescence probe for selective enumeration method human serum albumins	20190729

PMID	Publication Date	Title	Journal
24333643	20140312	Salicylanilide pyrazinoates inhibit in vitro multidrug-resistant Mycobacterium tuberculosis strains, atypical mycobacteria and isocitrate lyase	European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences
21589067	20101023	N-(2-Chloro-eth-yl)pyrazine-2-carboxamide	Acta crystallographica. Section E, Structure reports online
21578484	20091028	Methyl pyrazine-2-carboxyl-ate	Acta crystallographica. Section E, Structure reports online
8765523	19960816	Quantitative structure-activity relationships for the in vitro antimycobacterial activity of pyrazinoic acid esters	Journal of medicinal chemistry
7562923	19950929	Pyrazinoic acid esters with broad spectrum in vitro antimycobacterial activity	Journal of medicinal chemistry

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

Pyrazines

[1211525-85-7]
2-Chloromethyl-3-methoxy-pyrazine
[1350925-21-1]
6-Chloropyrido[2,3-b]pyrazin-3(4H)-one
[109838-85-9]
(R)-2,5-Dihydro-3,6-dimethoxy-2-isopropylpyrazine
[1006491-92-4]
3-(Hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylcarbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid
[25005-97-4]
Tetra-2-pyridinylpyrazine
[2169539-35-7]
6-bromo-8-methoxy-[1,2,4]triazolo[1,5-a]pyrazine

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:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	138.042927438
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	138.042927438
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2