Home Fluorides 3335-44-2
3335-44-2,MFCD00474273
Catalog No.:AA003HR6
3335-44-2 | 2-Oxo-6-phenyl-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
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≥ 98% (HPLC)
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5g
≥ 98% (HPLC)
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  • Technical Information
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Technical Information
Catalog Number:
AA003HR6
Chemical Name:
2-Oxo-6-phenyl-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
CAS Number:
3335-44-2
Molecular Formula:
C13H7F3N2O
Molecular Weight:
264.2027
MDL Number:
MFCD00474273
IUPAC Name:
2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C13H7F3N2O/c14-13(15,16)10-6-11(8-4-2-1-3-5-8)18-12(19)9(10)7-17/h1-6H,(H,18,19)
InChI Key:
OOVASHBTYQTRFA-UHFFFAOYSA-N
SMILES:
N#Cc1c(=O)[nH]c(cc1C(F)(F)F)c1ccccc1
Properties
Computed Properties
 
Complexity:
502  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.051g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
264.207g/mol
Monoisotopic Mass:
264.051g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
3335-44-2 
2-oxo-6-phenyl-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile 
Maybridge3_004748 
MLS000331162 
SCHEMBL2267098 
CHEMBL1588488 
CTK4H0448 
CTK7C6775 
HMS560D19 
KS-00001TLD 
DTXSID70369398 
CHEBI:105649 
2-oxo-6-phenyl-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile 
HMS1444H18 
HMS2383J14 
ZINC8577839 
ZX-AP006625 
MFCD04111031 
SBB102781 
STK208991 
AKOS001144782 
AKOS025117231 
1K-340S 
2-HYDROXY-6-PHENYL-4-(TRIFLUOROMETHYL)NICOTINONITRILE 
ACM3335442 
CCG-256508 
MCULE-1922565135 
PC10183 
RP14866 
VP11521 
IDI1_016135 
AJ-57639 
CC-11760 
DB-021471 
2-hydroxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile 
FT-0613255 
ST50974802 
4-trifluoromethyl-6-phenyl-3-cyano-2-pyridone 
A-8056 
oxophenyltrifluoromethyldihydropyridinecarbonitrile 
C-16525 
I02-5051 
J-510222 
2-oxo-6-phenyl-4-(trifluoromethyl)hydropyridine-3-carbonitrile 
1,2-Dihydro-2-oxo-4-(trifluoromethyl)-6-phenylpyridine-3-carbonitrile 
2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile 
1,2-Dihydro-2-oxo-6-phenyl-4-(trifluoromethyl)3-pyridinecarbonitrile 
1,2-Dihydro-2-oxo-6-phenyl-4-(trifluoromethyl)3-pyridinecarbonitrile, 97% 
2-Oxo-6-phenyl-4-(trifluoromethyl)-1,2-dihydro-3pyridinecarbonitrile 
3-Pyridinecarbonitrile,1,2-dihydro-2-oxo-6-phenyl-4-(trifluoromethyl)- 
4-(Trifluoromethyl)-1,2-dihydro-2-oxo-6-phenylpyridine-3-carbonitrile 
2-cyano-N,N-diethylacetamide 
CID2726227 
2-OXO-6-PHENYL-4- -1,2-DIHYDRO-3-PYRIDINECARBONITRILE 
ACMC-20anob 
AC1MBIPX 
SMR000168626 
Maybridge1_006597 
Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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