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Methyl pyrazine-2-carboxylate

CAS No.:
6164-79-0
Catalog Number:
AG003S2F
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$25
- +
25g
98%
In Stock USA
United States
$69
- +
100g
98%
In Stock USA
United States
$219
- +
500g
98%
In Stock USA
United States
$675
- +
Product Description
Catalog Number:
AG003S2F
Chemical Name:
Methyl pyrazine-2-carboxylate
CAS Number:
6164-79-0
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
MDL Number:
MFCD00014611
IUPAC Name:
methyl pyrazine-2-carboxylate
InChI:
InChI=1S/C6H6N2O2/c1-10-6(9)5-4-7-2-3-8-5/h2-4H,1H3
InChI Key:
TWIIRMSFZNYMQE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnccn1
EC Number:
228-198-6
UNII:
90NZ6P9NG2
NSC Number:
32337
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.043g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.126g/mol
Monoisotopic Mass:
138.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Literature
Title Journal
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 20140312
N-(2-Chloro-eth-yl)pyrazine-2-carboxamide. Acta crystallographica. Section E, Structure reports online 20101101
Methyl pyrazine-2-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20091101
Quantitative structure-activity relationships for the in vitro antimycobacterial activity of pyrazinoic acid esters. Journal of medicinal chemistry 19960816
Pyrazinoic acid esters with broad spectrum in vitro antimycobacterial activity. Journal of medicinal chemistry 19950929
Properties