Home Nitriles 2-(2-Oxopyridin-1(2H)-yl)acetonitrile

2-(2-Oxopyridin-1(2H)-yl)acetonitrile

CAS No.:
218920-79-7
Catalog Number:
AG006YYV
Molecular Formula:
C7H6N2O
Molecular Weight:
134.1353
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Product Description
Catalog Number:
AG006YYV
Chemical Name:
2-(2-Oxopyridin-1(2H)-yl)acetonitrile
CAS Number:
218920-79-7
Molecular Formula:
C7H6N2O
Molecular Weight:
134.1353
MDL Number:
MFCD02966312
IUPAC Name:
2-(2-oxopyridin-1-yl)acetonitrile
InChI:
InChI=1S/C7H6N2O/c8-4-6-9-5-2-1-3-7(9)10/h1-3,5H,6H2
InChI Key:
DWDWZOINPDAWBD-UHFFFAOYSA-N
SMILES:
N#CCn1ccccc1=O
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.048g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.138g/mol
Monoisotopic Mass:
134.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties