AG00BZH7

406476-31-1 | 1-[5-(Trifluoromethyl)-2-pyridyl]piperidine-4-carboxylic acid

AG00BZH7

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CAS Number	406476-31-1
Catalog Number	AG00BZH7(AGN-PC-0KKYH7)
Chemical Name	1-[5-(Trifluoromethyl)-2-pyridyl]piperidine-4-carboxylic acid
IUPAC Name	1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylic acid
InChI	InChI=1S/C12H13F3N2O2/c13-12(14,15)9-1-2-10(16-7-9)17-5-3-8(4-6-17)11(18)19/h1-2,7-8H,3-6H2,(H,18,19)
InChI Key	KNDSIDUPVUCATQ-UHFFFAOYSA-N
MDL Number	MFCD00209248
Molecular Formula	C12H13F3N2O2
Molecular Weight	274.2390
SMILES	O=C(C1CCN(C2=NC=C(C(F)(F)F)C=C2)CC1)O
Synonyms	406476-31-1, 1-(5-(trifluoromethyl)pyridin-2-yl)piperidine-4-carboxylic acid, 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylic acid, 1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxylic acid, 5'-Trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-carboxylic acid, 1-(5-(trifluoromethyl)-2-pyridyl)piperidine-4-carboxylic acid, AC1MCRZA, BAS 04284721, Peakdale1_002677, SCHEMBL327492, AC1Q74M9, CTK1D7735, HMS525J15, DTXSID40380656, KNDSIDUPVUCATQ-UHFFFAOYSA-N, KS-00000F8J, ZINC3884576, MFCD00209248, SBB010208, AKOS000121943, AS-5488, CCG-238404, MCULE-6792445881, RP06545, RTR-016227, SDCCGMLS-0066142.P001, AJ-72862, AK115584, AB0001850, ST2403223, TR-016227, 4CH-016893, FT-0677793, ST50046333, Y9033, EN300-00029, VU0494440-1, L-2679, I04-5193, J-504124, Z56800753, 2-(4-Carboxypiperidin-1-yl)-5-(trifluoromethyl)pyridine, 4-Carboxy-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine, F1686-0019, 1-(5-Trifluoromethylpyrid-2-yl)-piperidine-4-carboxylic acid, 1-[5-(trifluoromethyl)-2-pyridyl]-4-piperidinecarboxylic acid, 1-[5-(trifluoromethyl)pyrid-2-yl]piperidine-4-carboxylic acid, 4-Piperidinecarboxylic acid, 1-[5-(trifluoromethyl)-2-pyridinyl]-, 4-Piperidinecarboxylicacid, 1-[5-(trifluoromethyl)-2-pyridinyl]-, 4-Piperidinecarboxylicacid,1-[5-(trifluoromethyl)-2-pyridinyl]-, n-[5'-(trifluoromethyl)pyridin-2'-yl]piperidine-4-carboxylic acid, 1-[5-(Trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylic acid, AldrichCPR, 5-trifluoromethyl-3,4,5,6-tetrahydro-2h-[1,2]bipyridinyl-4-carboxylic acid, C12H13F3N2O2, CID2777788, 1-(5-(Trifluoromethyl)pyridin-2-yl)piperidine-4-carboxylicacid, ?1-[5-(Trifluoromethyl)-2-pyridyl]piperidine-4-carboxylic acid, 5'-TRIFLUOROMETHYL-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-4-CARBOXYLICACID,

Complexity	327
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	274.093g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	274.243g/mol
Monoisotopic Mass	274.093g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	53.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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