AG003T3S

4394-00-7 | 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid

AG003T3S

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CAS Number	4394-00-7
Catalog Number	AG003T3S(AGN-PC-07Y4SC)
Chemical Name	2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
EC Number	224-516-2
IUPAC Name	2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
InChI	InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)
InChI Key	JZFPYUNJRRFVQU-UHFFFAOYSA-N
MDL Number	MFCD00010569
Molecular Formula	C13H9F3N2O2
Molecular Weight	282.2180
NSC Number	758196
SMILES	C1=C(C(=NC=C1)NC2=CC(=CC=C2)C(F)(F)F)C(O)=O
UNII	4U5MP5IUD8
Synonyms	Acid, Niflumic, Donalgin, Flunir, Niflactol, Niflugel, Niflumic Acid, Nifluril, niflumic acid, 4394-00-7, Nifluril, Forenol, Landruma, Actol, Acido niflumico, Nifluminic acid, Acide niflumique, Acidum niflumicum, Acide niflumique [INN-French], Acido niflumico [INN-Spanish], Acidum niflumicum [INN-Latin], 2-{[3-(trifluoromethyl)phenyl]amino}pyridine-3-carboxylic acid, Niflumate, Acide niflumique [French], Acido niflumico [Italian], UP 83, 2-(3-(Trifluoromethyl)-phenyl)aminonicotinic acid, 2-(3-Trifluoromethylanilino)nicotinic Acid, 2-(3-(Trifluoromethyl)anilino)nicotinic acid, 2-[3-(Trifluoromethyl)anilino]nicotinic acid, Lopac-N-0630, UNII-4U5MP5IUD8, SC 1332, CCRIS 5740, 3-Pyridinecarboxylic acid, 2-[[3-(trifluoromethyl)phenyl]amino]-, 2-(alpha,alpha,alpha-Trifluoro-m-toluidino)nicotinic acid, 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid, 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID, EINECS 224-516-2, 2-(3-Trifluoromethyl-phenylamino)-nicotinic acid, 2-[(3-TRIFLUOROMETHYL)PHENYL]AMINO-3-PYRIDINE-CARBOXYLIC ACID, BRN 0489360, 4U5MP5IUD8, MLS000069713, NFL, CHEBI:34888, 3-Pyridinecarboxylic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, Aza-2 dimethyl-2',3' (tetrazolyl-5)-6 diphenylamino [French], JZFPYUNJRRFVQU-UHFFFAOYSA-N, 2-((3-(Trifluoromethyl)phenyl)amino)nicotinic acid, MFCD00010569, 2-[alpha,alpha,alpha-trifluoro-m-toluidino]-nicotinic acid, NCGC00015724-10, Donalgin, SMR000058199, CAS-4394-00-7, DSSTox_CID_3368, 2-(3-[Trifluoromethyl]anilino)nicotinic acid, DSSTox_RID_76996, 2-(3-(Trifluoromethyl)phenylamino)nicotinic acid, DSSTox_GSID_23368, Nicotinic acid, 2-(alpha,alpha,alpha-trifluoro-m-toluidino)-, Niflamol, Niflam, Niflumic acid [INN:DCF], Niflugel (TN), Niflumic acid (INN), SR-01000000231, 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylic acid, niflumic-acid, NiflumicAcid, ni-flumic acid, Niflumic acid [INN:BAN:DCF], Actol, analgesic, Prestwick_890, Aza-2 dimethyl-2',3' (tetrazolyl-5)-6 diphenylamino, PubChem21796, Spectrum_001353, 1td7, ACMC-209jvx, Opera_ID_1746, Prestwick0_000255, Prestwick1_000255, Prestwick2_000255, Prestwick3_000255, Spectrum2_000794, Spectrum3_001485, Spectrum4_000043, Spectrum5_001216, Niflumic acid (Hit 16), N 0630, AC1L1IA4, 2-[(3-Trifluoromethylphenyl)amino]nicotinic Acid, CBiol_001828, Lopac0_000845, SCHEMBL24706, BSPBio_000070, BSPBio_001393, BSPBio_003069, KBioGR_000113, KBioGR_000505, KBioSS_000113, KBioSS_001833, 5-22-13-00598 (Beilstein Handbook Reference), KSC587Q8N, MLS001076327, CHEMBL63323, DivK1c_000277, SPECTRUM1502015, SPBio_000928, SPBio_002289, BPBio1_000078, GTPL2439, DTXSID1023368, BDBM85507, CTK4I7886, HMS500N19, KBio1_000277, KBio2_000113, KBio2_001833, KBio2_002681, KBio2_004401, KBio2_005249, KBio2_006969, KBio3_000225, KBio3_000226, KBio3_002569, NINDS_000277, 2-[(3-Trifluoromethyl)phenyl]amino]-3-pyridinecarboxylic Acid, Bio1_000114, Bio1_000603, Bio1_001092, Bio2_000113, Bio2_000593, HMS1361F15, HMS1568D12, HMS1791F15, HMS1921D12, HMS1989F15, HMS2090D19, HMS2095D12, HMS2234F11, HMS3262J11, HMS3374H01, HMS3402F15, HMS3649A08, HMS3656P14, HMS3712D12, Pharmakon1600-01502015, UP-83, ZINC125031, HY-B0493, KS-00000CB5, NSC_4488, Tox21_110206, Tox21_500845, ANW-30043, BBL003619, CCG-40157, DL-457, Nicotinic acid, 2-(.alpha.,.alpha.,.alpha.-trifluoro-m-toluidino)-, NSC758196, s3018, SBB001146, STK803109, AKOS000519590, Tox21_110206_1, AC-2652, CS-2614, DB04552, GS-3202, LP00845, MCULE-3027710274, NSC-758196, RTR-017015, IDI1_000277, IDI1_033863, NCGC00015724-01, NCGC00015724-02, NCGC00015724-03, NCGC00015724-04, NCGC00015724-05, NCGC00015724-06, NCGC00015724-07, NCGC00015724-08, NCGC00015724-09, NCGC00015724-11, NCGC00015724-12, NCGC00015724-13, NCGC00015724-14, NCGC00015724-17, NCGC00023636-03, NCGC00023636-04, NCGC00023636-05, NCGC00023636-06, NCGC00023636-07, NCGC00023636-08, NCGC00023636-09, NCGC00261530-01, AJ-11904, AK-72979, AN-13743, BAS 00821161, BC218927, BR-72979, LS-96639, ST013871, CAS_4394-00-7, SBI-0050821.P003, 2(3'-trifluormethylanilino)-nicotinic acid, AB0012229, AB1004097, 2-(3-(Trifluoromethyl)anilino)nicotinicacid, AB00052255, AM20070143, EU-0100845, FT-0603659, ST24027408, SW197011-3, T7852, C13698, D08275, S00109, AB00052255-17, AB00052255_18, AB00052255_19, 394N007, SR-01000000231-2, SR-01000000231-5, SR-01000000231-6, W-106215, BRD-K98763141-001-04-3, BRD-K98763141-001-06-8, BRD-K98763141-001-17-5, SR-01000000231-11, 2-[3-(Trifluoromethyl)anilino]-3-pyridinecarboxylic acid, Niflumic acid, European Pharmacopoeia (EP) Reference Standard, 2-{[3-(trifluoromethyl)-phenyl]-amino}-3-pyridincarboxylic acid, 2-[3-(Trifluoromethyl)anilino]nicotinic acid; 2-(|A,|A,|A-Trifluoro-m-toluidino)nicotinic acid, Flogovital, Niflactol, Niflugel, Flunir, Acid, Niflumic, D00HGB, Niflumic acid [DCF:INN], C13H9F3N2O2, UPSA Brand 1 of Niflumic Acid, UPSA Brand 2 of Niflumic Acid, 2,4-Dichloro-5-fluoropyrimidine, CID4488, Upsamedica Brand of Niflumic Acid, C13-H9-F3-N2-O2, UPSA Conseil Brand of Niflumic Acid, B1530, T2353, 2-(A,A,A-Trifluoro-m-toluidino)nicotinic acid, 39690A, D009544, methyl 4-hydroxy-5,6-dihydro-2H-pyran-3-carboxylate, 2-[[3-(trifluoromethyl)phenyl]amino]-3-pyridinecarboxylic acid, NFA, 439081-18-2, 910332-88-6, na,

Complexity	349
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	282.062g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	282.222g/mol
Monoisotopic Mass	282.062g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	62.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number