AG005ZPE

956010-87-0 | 3-(Trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine

AG005ZPE

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CAS Number	956010-87-0
Catalog Number	AG005ZPE(AGN-PC-0OO5QT)
Chemical Name	3-(Trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine
IUPAC Name	3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine
InChI	InChI=1S/C7H4F3N3/c8-7(9,10)5-4-2-1-3-11-6(4)13-12-5/h1-3H,(H,11,12,13)
InChI Key	TVDKAMJFPZJIKB-UHFFFAOYSA-N
MDL Number	MFCD13178059
Molecular Formula	C7H4F3N3
Molecular Weight	187.1220
SMILES	FC(F)(F)C1=NNC2=C1C=CC=N2
Synonyms	3-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine, 956010-87-0, 3-Trifluomethyl-7-aza-1H-indazloe, Q-103537, SCHEMBL1496225, CTK8B7605, 1H-PYRAZOLO[3,4-B]PYRIDINE, 3-(TRIFLUOROMETHYL)-, DTXSID60701940, TVDKAMJFPZJIKB-UHFFFAOYSA-N, 6482AC, ANW-57811, CT-967, CT0100, MFCD13178059, ZINC51971898, AKOS016001361, FCH1159359, PB34756, AK-37719, DS-12786, AJ-112020, AX8163859, DB-012057, TC-146556, AM20061641, CS-0030490, FT-0724560, J3.511.236G, Q-1370, 3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine, C7H4F3N3, A11156,

Complexity	194
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.036g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	187.125g/mol
Monoisotopic Mass	187.036g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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