AG007INE

338404-77-6 | 2-pyridin-2-yl-6-trifluoromethyl-pyrimidin-4-ol

AG007INE

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CAS Number	338404-77-6
Catalog Number	AG007INE(AGN-PC-0KKWMM)
Chemical Name	2-pyridin-2-yl-6-trifluoromethyl-pyrimidin-4-ol
IUPAC Name	2-pyridin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one
InChI	InChI=1S/C10H6F3N3O/c11-10(12,13)7-5-8(17)16-9(15-7)6-3-1-2-4-14-6/h1-5H,(H,15,16,17)
InChI Key	RZQQQWUVWWVDCN-UHFFFAOYSA-N
MDL Number	MFCD00139776
Molecular Formula	C10H6F3N3O
Molecular Weight	241.1693
SMILES	O=C1NC(C2=NC=CC=C2)=NC(C(F)(F)F)=C1
Synonyms	338404-77-6, 2-(2-Pyridinyl)-6-(trifluoromethyl)-4-pyrimidinol, 2-(pyridin-2-yl)-6-(trifluoromethyl)pyrimidin-4-ol, 2-(Pyridin-2-yl)-6-(trifluoromethyl)pyrimidin-4(1H)-one, 4-hydroxy-2-(pyrid-2-yl)-6-(trifluoromethyl)pyrimidine, 2-pyridin-2-yl-6-(trifluoromethyl)-1H-pyrimidin-4-one, Cyto3A2, AC1MCPZC, Bionet2_000268, 2-pyridin-2-yl-6-trifluoromethyl-pyrimidin-4-ol, C10H6F3N3O, SCHEMBL5479409, CHEMBL2398429, CTK1B1515, CTK8A0779, DTXSID50379379, RZQQQWUVWWVDCN-UHFFFAOYSA-N, HMS1364M04, KS-00001VA1, ZINC8616542, ZX-AP000623, 3993AB, MFCD00139776, PC9888, SBB099406, AKOS005069943, AKOS022171452, AKOS026677426, 3E-358S, CCG-244115, MCULE-2614704246, RP13790, RTR-063153, ACM338404776, AJ-57768, AK-69046, AX8199868, ST24039743, K-7763, 2-(2-pyridyl)-6-(trifluoromethyl)pyrimidin-4-ol, A806208, J-506577, 2-(Pyridin-2-yl)-6-trifluoromethyl-3H-pyrimidin-4-one, F8889-9372, 2-(2-pyridinyl)-6-(trifluoromethyl)-1H-pyrimidin-4-one, 2-(pyridin-2-yl)-6-(trifluoromethyl)-3H-pyrimidin-4-one, 4(1H)-Pyrimidinone, 2-(2-pyridinyl)-6-(trifluoromethyl)-, 2-(2-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinol, AldrichCPR, ZINC05177912, CID2775101, N/A, 13114-64-2,

Complexity	387
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.046g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	241.173g/mol
Monoisotopic Mass	241.046g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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