AG01EB2M

1011244-68-0 | N-(5-Aminopyridin-2-yl)-4-(trifluoromethyl)benzamide

AG01EB2M

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CAS Number	1011244-68-0
Catalog Number	AG01EB2M(AGN-PC-04QNAJ)
Chemical Name	N-(5-Aminopyridin-2-yl)-4-(trifluoromethyl)benzamide
IUPAC Name	N-(5-aminopyridin-2-yl)-4-(trifluoromethyl)benzamide
InChI	InChI=1S/C13H10F3N3O/c14-13(15,16)9-3-1-8(2-4-9)12(20)19-11-6-5-10(17)7-18-11/h1-7H,17H2,(H,18,19,20)
InChI Key	BTCFFMPDIBWZLF-UHFFFAOYSA-N
MDL Number	MFCD12463359
Molecular Formula	C13H10F3N3O
Molecular Weight	281.2332
SMILES	NC=1C=CC(=NC1)NC(C1=CC=C(C=C1)C(F)(F)F)=O
Synonyms	TFAP, 1011244-68-0, CHEMBL409023, N-(5-aminopyridin-2-yl)-4-(trifluoromethyl)benzamide, SCHEMBL13428699, EX-A1925, BDBM50376381, AKOS009334359, COX-1 Inhibitor IV pound TFAP pound(c), HY-112731, AK00783815, CS-0063093, J-000327, TFAP cpd, C550711, N-(5-Amino-2-pyridinyl)-4-trifluoromethylbenzamide,

Complexity	340
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	281.078g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	281.238g/mol
Monoisotopic Mass	281.078g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	68A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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