Home Nitriles 2-oxo-6-(pyridin-4-yl)-1,2-dihydropyridine-3-carbonitrile

2-oxo-6-(pyridin-4-yl)-1,2-dihydropyridine-3-carbonitrile

CAS No.:
39883-32-4
Catalog Number:
AG01EJRT
Molecular Formula:
C11H7N3O
Molecular Weight:
197.1928
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Product Description
Catalog Number:
AG01EJRT
Chemical Name:
2-oxo-6-(pyridin-4-yl)-1,2-dihydropyridine-3-carbonitrile
CAS Number:
39883-32-4
Molecular Formula:
C11H7N3O
Molecular Weight:
197.1928
MDL Number:
MFCD00833385
IUPAC Name:
2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C11H7N3O/c12-7-9-1-2-10(14-11(9)15)8-3-5-13-6-4-8/h1-6H,(H,14,15)
InChI Key:
DQBRKKGTJNHOBR-UHFFFAOYSA-N
SMILES:
N#Cc1ccc([nH]c1=O)c1ccncc1
Properties
Complexity:
380  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.059g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.197g/mol
Monoisotopic Mass:
197.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties