AG000JD6

1227594-89-9 | 2(1H)-Pyridinone, 3-fluoro-4-(trifluoromethyl)-

AG000JD6

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CAS Number	1227594-89-9
Catalog Number	AG000JD6(AGN-PC-0WBSE8)
Chemical Name	2(1H)-Pyridinone, 3-fluoro-4-(trifluoromethyl)-
IUPAC Name	3-fluoro-4-(trifluoromethyl)-1H-pyridin-2-one
InChI	InChI=1S/C6H3F4NO/c7-4-3(6(8,9)10)1-2-11-5(4)12/h1-2H,(H,11,12)
InChI Key	CUVQCPUTFJFSFU-UHFFFAOYSA-N
MDL Number	MFCD16611126
Molecular Formula	C6H3F4NO
Molecular Weight	181.0877
SMILES	O=C1C(F)=C(C(F)(F)F)C=CN1
Synonyms	1227594-89-9, 3-fluoro-4-(trifluoromethyl)pyridin-2-ol, 3-Fluoro-4-(trifluoromethyl)pyridin-2(1H)-one, 2-HYDROXY-3-FLUORO-4-(TRIFLUOROMETHYL)PYRIDINE, 3-fluoro-2-hydroxy-4-(trifluoromethyl)pyridine, 2(1H)-Pyridinone,3-fluoro-4-(trifluoromethyl)-, SCHEMBL2508125, SCHEMBL15777925, DTXSID10700741, CUVQCPUTFJFSFU-UHFFFAOYSA-N, 2561AD, BBL101516, MFCD16611126, STL555312, ZINC95627767, AKOS005258777, AKOS025405539, DS-9828, FCH1145482, AK187848, AX8303145, Z-1694, 2(1H)-Pyridinone, 3-fluoro-4-(trifluoromethyl)-, C6H3F4NO, ACN-056538,

Complexity	276
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.015g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	181.09g/mol
Monoisotopic Mass	181.015g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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