AG0039YB

784144-05-4 | 5-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

AG0039YB

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CAS Number	784144-05-4
Catalog Number	AG0039YB(AGN-PC-0AC0YH)
Chemical Name	5-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
IUPAC Name	5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
InChI	InChI=1S/C9H5F3N2O2/c10-9(11,12)5-1-4-2-6(8(15)16)14-7(4)13-3-5/h1-3H,(H,13,14)(H,15,16)
InChI Key	FBBGQODGGJJBTK-UHFFFAOYSA-N
MDL Number	MFCD15529028
Molecular Formula	C9H5F3N2O2
Molecular Weight	230.1434
SMILES	FC(C=1C=C2C(=NC1)NC(=C2)C(=O)O)(F)F
Synonyms	5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid, 784144-05-4, SCHEMBL297938, DTXSID10716569, FBBGQODGGJJBTK-UHFFFAOYSA-N, ZX-AP009710, 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 5-(trifluoromethyl)-, 9718AE, MFCD15529028, ZINC71289186, AKOS015892432, FF-0713, MCULE-2639409694, PC57033, RP13233, SB14544, trifluoromethylpyrrolobpyridinecarboxylicacid, 2-Carboxy-5-(trifluoromethyl)-7-azaindole, CS-0004435, FT-0684444, I02-4711, J-516439, 5-trifluoromethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid, C9H5F3N2O2,

Complexity	295
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.03g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	230.146g/mol
Monoisotopic Mass	230.03g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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