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308088-11-1 | [2,3'-Bipyridine]-5-carbonitrile, 1,6-dihydro-6-oxo-4-(trifluoromethyl)-
CAS No: 308088-11-1 Catalog No: AG0031CD MDL No:MFCD02090055
Product Description
Catalog Number:
AG0031CD
Chemical Name:
[2,3'-Bipyridine]-5-carbonitrile, 1,6-dihydro-6-oxo-4-(trifluoromethyl)-
CAS Number:
308088-11-1
Molecular Formula:
C12H6F3N3O
Molecular Weight:
265.1907
MDL Number:
MFCD02090055
IUPAC Name:
2-oxo-6-pyridin-3-yl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C12H6F3N3O/c13-12(14,15)9-4-10(7-2-1-3-17-6-7)18-11(19)8(9)5-16/h1-4,6H,(H,18,19)
InChI Key:
PVDSHHZFUJPJQH-UHFFFAOYSA-N
SMILES:
N#Cc1c(=O)[nH]c(cc1C(F)(F)F)c1cccnc1
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.195g/mol
Monoisotopic Mass:
265.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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