AG000CRE

116548-08-4 | 4-Methyl-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile

AG000CRE

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CAS Number	116548-08-4
Catalog Number	AG000CRE(AGN-PC-0JURCW)
Chemical Name	4-Methyl-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
IUPAC Name	4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
InChI	InChI=1S/C8H5F3N2O/c1-4-2-6(8(9,10)11)13-7(14)5(4)3-12/h2H,1H3,(H,13,14)
InChI Key	KJPCSAVVWNUZOG-UHFFFAOYSA-N
MDL Number	MFCD01026933
Molecular Formula	C8H5F3N2O
Molecular Weight	202.1333
SMILES	N#CC1=C(C)C=C(C(F)(F)F)NC1=O
Synonyms	116548-08-4, 2-Hydroxy-4-methyl-6-(trifluoromethyl)nicotinonitrile, 4-methyl-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile, EC-000.1947, 2-hydroxy-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile, KJPCSAVVWNUZOG-UHFFFAOYSA-N, AC1LDRZ5, ACMC-2099sx, TimTec1_003592, SCHEMBL14966612, CTK4A9854, DTXSID80350131, HMS1544D06, ANW-16975, ANW-53517, MFCD04967406, SBB021407, STK349322, STK675264, ZINC12357583, AKOS000306130, AKOS002666401, CM11019, FCH1332313, MCULE-9447707462, RTR-003027, AJ-61291, AK-91970, SC-28904, ST052040, AX8230142, ST2405881, CS-0082186, Z7783, SR-01000523971, 2-Hydroxy-4-methyl-6-trifluoromethyl-nicotinonitrile, SR-01000523971-1, 4-methyl-2-oxo-6-(trifluoromethyl)-1,2-dihydropyri, 2-HYDROXY-4-METHYL-6-TRIFLUOROMETHYL-NICOTINNITRILE, A1990/0083690, 4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile, 4-methyl-2-oxo-6-(trifluoromethyl)hydropyridine-3-carbonitrile, 3-Pyridinecarbonitrile, 1,2-dihydro-4-methyl-2-oxo-6-(trifluoromethyl)-, 4-methyl-2-oxo-6-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile, C8H5F3N2O, CID674145, ZINC00036441, A-5220,

Complexity	395
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.035g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	202.136g/mol
Monoisotopic Mass	202.035g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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