AG003MIY

23819-87-6 | 5-Bromo-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile

AG003MIY

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CAS Number	23819-87-6
Catalog Number	AG003MIY(AGN-PC-0JVP0T)
Chemical Name	5-Bromo-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
IUPAC Name	5-bromo-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
InChI	InChI=1S/C8H7BrN2O/c1-4-6(3-10)8(12)11-5(2)7(4)9/h1-2H3,(H,11,12)
InChI Key	DFGKQCOFARYQOA-UHFFFAOYSA-N
MDL Number	MFCD01117224
Molecular Formula	C8H7BrN2O
Molecular Weight	227.0580
SMILES	N#CC1=C(C)C(Br)=C(C)NC1=O
Synonyms	23819-87-6, 5-bromo-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile, 5-bromo-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile, 5-Bromo-2-hydroxy-4,6-dimethylnicotinonitrile, 5-bromo-3-cyano-2-hydroxy-4,6-dimethylpyridine, 5-bromo-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile, 5-Bromo-2-hydroxy-4,6-dimethylpyridine-3-carbonitrile, 5-Bromo-2-hydroxy-4,6-dimethyl-nicotinonitrile, 3-pyridinecarbonitrile, 5-bromo-1,2-dihydro-4,6-dimethyl-2-oxo-, 5-bromo-4,6-dimethyl-2-oxohydropyridine-3-carbonitrile, MLS000089917, bromodimethyloxodihydropyridinecarbonitrile, ACMC-20am5g, AC1LEL10, AC1Q4Q6X, SCHEMBL8650240, CHEMBL1446005, CTK1A7312, CTK7C6772, DTXSID00353285, DFGKQCOFARYQOA-UHFFFAOYSA-N, HMS2472D03, ALBB-025335, KS-00000F2T, ZINC8670099, ZX-RL004549, MFCD00052651, MFCD01117224, SBB072274, STK736818, AKOS001650835, AKOS015834087, AS-5437, FCH1325638, MCULE-2183814435, RP13072, VP11554, ACM23819876, AJ-57865, AK123993, OR300772, SMR000024535, ST4144058, TR-071877, FT-0680332, R4194, ST24044479, X5159, 5-Bromo-3-cyano-4,6-dimethyl-2-hydroxypyridine, 3W-0879, 5-bromo-3-cyano- 2-hydroxy-4,6-dimethylpyridine, 5-bromo-3-cyano-2-hydroxy -4,6-dimethylpyridine, AG-690/11665793, SR-01000479264, I02-3915, J-517064, SR-01000479264-1, 2-Hydroxy-4,6-dimethyl-5-bromopyridine-3-carbonitrile, F0913-3252, 5-Bromo-2-hydroxy-4,6-dimethylnicotinonitrile, AldrichCPR, C8H7BrN2O, AR-1F5149, CID737752, ACN-027015, 5-hydroxy-2-(phenylmethoxy)Benzoic acid, 814262-90-3, 5-Bromo-2-hydroxy-4,6-dimethylpyridine-3-carbonitrile, 98% - 1G 1g, 23922-87-4,

Complexity	357
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.974g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	227.061g/mol
Monoisotopic Mass	225.974g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3439

Certificate of Analysis

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