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Home > Fluorides > 1438853-92-9
1438853-92-9 | 2-Pyrazinecarboxamide, 5-chloro-N-[(2-fluorophenyl)methyl]-
CAS No: 1438853-92-9 Catalog No: AG001IK5 MDL No:
Product Description
Catalog Number:
AG001IK5
Chemical Name:
2-Pyrazinecarboxamide, 5-chloro-N-[(2-fluorophenyl)methyl]-
CAS Number:
1438853-92-9
Molecular Formula:
C12H9ClFN3O
Molecular Weight:
265.6708
IUPAC Name:
5-chloro-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide
InChI:
InChI=1S/C12H9ClFN3O/c13-11-7-15-10(6-16-11)12(18)17-5-8-3-1-2-4-9(8)14/h1-4,6-7H,5H2,(H,17,18)
InChI Key:
XQESBHKUHADMHE-UHFFFAOYSA-N
SMILES:
Clc1cnc(cn1)C(=O)NCc1ccccc1F
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.042g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.672g/mol
Monoisotopic Mass:
265.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Synthesis and antimycobacterial evaluation of N-substituted 5-chloropyrazine-2-carboxamides. | Bioorganic & medicinal chemistry letters 20130615 |
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