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1438853-95-2 | 2-Pyrazinecarboxamide, 5-chloro-N-[(2-methylphenyl)methyl]-
CAS No: 1438853-95-2 Catalog No: AG001IK4 MDL No:
Product Description
Catalog Number:
AG001IK4
Chemical Name:
2-Pyrazinecarboxamide, 5-chloro-N-[(2-methylphenyl)methyl]-
CAS Number:
1438853-95-2
Molecular Formula:
C13H12ClN3O
Molecular Weight:
261.7069
IUPAC Name:
5-chloro-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
InChI:
InChI=1S/C13H12ClN3O/c1-9-4-2-3-5-10(9)6-17-13(18)11-7-16-12(14)8-15-11/h2-5,7-8H,6H2,1H3,(H,17,18)
InChI Key:
GZFZQXQYKOQIFJ-UHFFFAOYSA-N
SMILES:
Clc1cnc(cn1)C(=O)NCc1ccccc1C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.709g/mol
Monoisotopic Mass:
261.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Synthesis and antimycobacterial evaluation of N-substituted 5-chloropyrazine-2-carboxamides. | Bioorganic & medicinal chemistry letters 20130615 |
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