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144967-96-4 | 3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo-5-(6-quinolinyl)-
CAS No: 144967-96-4 Catalog No: AG001KET MDL No:
Product Description
Catalog Number:
AG001KET
Chemical Name:
3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo-5-(6-quinolinyl)-
CAS Number:
144967-96-4
Molecular Formula:
C16H11N3O
Molecular Weight:
261.2780
IUPAC Name:
6-methyl-2-oxo-5-quinolin-6-yl-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C16H11N3O/c1-10-14(8-13(9-17)16(20)19-10)11-4-5-15-12(7-11)3-2-6-18-15/h2-8H,1H3,(H,19,20)
InChI Key:
ZWLHNUOGIZYKHZ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(c2ccc3c(c2)cccn3)c([nH]c1=O)C
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.284g/mol
Monoisotopic Mass:
261.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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