AG003G4P

3335-46-4 | 3-Cyano-2,6-dihydroxy-4-(trifluoromethyl)pyridine

AG003G4P

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CAS Number	3335-46-4
Catalog Number	AG003G4P(AGN-PC-0O90RT)
Chemical Name	3-Cyano-2,6-dihydroxy-4-(trifluoromethyl)pyridine
IUPAC Name	2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
InChI	InChI=1S/C7H3F3N2O2/c8-7(9,10)4-1-5(13)12-6(14)3(4)2-11/h1H,(H2,12,13,14)
InChI Key	JRLZWXISQMMITA-UHFFFAOYSA-N
MDL Number	MFCD07368671
Molecular Formula	C7H3F3N2O2
Molecular Weight	204.1061
SMILES	OC=1NC(C=C(C1C#N)C(F)(F)F)=O
Synonyms	2,6-dihydroxy-4-(trifluoromethyl)nicotinonitrile, 3335-46-4, 2,6-dihydroxy-4-(trifluoromethyl)pyridine-3-carbonitrile, 3-Cyano-2,6-dihydroxy-4-(trifluoromethyl)pyridine, MFCD06200911, AK-39626, 2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile, 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-2-oxo-4-(trifluoromethyl)-, PubChem14842, AC1MD2RD, 2,6-Dihydroxy-3-cyano-4-(trifluoromethyl)pyridine, C7H3F3N2O2, SCHEMBL9017997, CTK4H0450, DTXSID70382188, ACT10204, BCP26991, ZX-AP009228, ANW-44015, BBL100566, CD-143, CL0198, dihydroxytrifluoromethylnicotinonitrile, PC8755, SBB064100, STL554360, ZINC12336283, AKOS005063910, AKOS028109458, AC-9583, CS-W003264, FCH1321137, MCULE-7427673755, QC-6572, RP11887, TRA0010507, AJ-60766, BC653646, SC-20226, SY007022, AB0004104, AX8086258, DB-027687, TR-013971, AM20051079, FT-0658012, Y3195, 2,6-Dihydroxy-4-trifluoromethyl-nicotinonitrile, C-6093, 2,6-dihydroxy-3-cyano-4-trifluoromethylpyridine, MFCD06200911 (97+%), 335D464, 10X-0866, 2,6-Dihydroxy-4-(trifluoromethyl)pyridine-3-carBon, I01-3984, J-507486, 3-cyano-2,6-dihydroxy-4-(trifluoromethyl)pyridine, AldrichCPR, 2-Hydroxy-6-oxo-4-(trifluoromethyl)-1,6-dihydro-3-pyridinecarbonitrile, 3-Pyridinecarbonitrile,1,2-dihydro-6-hydroxy-2-oxo-4-(trifluoromethyl)-, 6-hydroxy-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile, ACN-S004769, ZINC03883302, CID2782644, 3-CYANO-2,6-DIHYDROXY-4- PYRIDINE, A15489,

Complexity	397
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.015g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	204.108g/mol
Monoisotopic Mass	204.015g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	73.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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