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Home Carboxys Pyrazinecarboxylic acid, 5-fluoro-, methyl ester (9CI)

Pyrazinecarboxylic acid, 5-fluoro-, methyl ester (9CI)

CAS No.:
169335-35-7
Catalog Number:
AG00ALG4
Molecular Formula:
C6H5FN2O2
Molecular Weight:
156.1145
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Product Description
Catalog Number:
AG00ALG4
Chemical Name:
Pyrazinecarboxylic acid, 5-fluoro-, methyl ester (9CI)
CAS Number:
169335-35-7
Molecular Formula:
C6H5FN2O2
Molecular Weight:
156.1145
MDL Number:
MFCD13174992
IUPAC Name:
methyl 5-fluoropyrazine-2-carboxylate
InChI:
InChI=1S/C6H5FN2O2/c1-11-6(10)4-2-9-5(7)3-8-4/h2-3H,1H3
InChI Key:
OJSIPUSAMRJSND-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(cn1)F
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.034g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.116g/mol
Monoisotopic Mass:
156.034g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Literature
Title Journal
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