Home Carboxys 5-trifluoroMethyl-pyridine-2-carboxylic acid aMide

5-trifluoroMethyl-pyridine-2-carboxylic acid aMide

CAS No.:
22245-86-9
Catalog Number:
AG00CBT0
Molecular Formula:
C7H5F3N2O
Molecular Weight:
190.1226
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Product Description
Catalog Number:
AG00CBT0
Chemical Name:
5-trifluoroMethyl-pyridine-2-carboxylic acid aMide
CAS Number:
22245-86-9
Molecular Formula:
C7H5F3N2O
Molecular Weight:
190.1226
MDL Number:
MFCD02656019
IUPAC Name:
5-(trifluoromethyl)pyridine-2-carboxamide
InChI:
InChI=1S/C7H5F3N2O/c8-7(9,10)4-1-2-5(6(11)13)12-3-4/h1-3H,(H2,11,13)
InChI Key:
JUNJVRHWOHOSKU-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc(cn1)C(F)(F)F
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.035g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.125g/mol
Monoisotopic Mass:
190.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties