Home Carboxys 3-Pyridinecarboxylic acid, 2-methyl-6-(trifluoromethyl)-

3-Pyridinecarboxylic acid, 2-methyl-6-(trifluoromethyl)-

CAS No.:
261635-93-2
Catalog Number:
AG002RXH
Molecular Formula:
C8H6F3NO2
Molecular Weight:
205.1339
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Product Description
Catalog Number:
AG002RXH
Chemical Name:
3-Pyridinecarboxylic acid, 2-methyl-6-(trifluoromethyl)-
CAS Number:
261635-93-2
Molecular Formula:
C8H6F3NO2
Molecular Weight:
205.1339
MDL Number:
MFCD01311990
IUPAC Name:
2-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H6F3NO2/c1-4-5(7(13)14)2-3-6(12-4)8(9,10)11/h2-3H,1H3,(H,13,14)
InChI Key:
ODWJFUQRQUCRJZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(nc1C)C(F)(F)F
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.035g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.136g/mol
Monoisotopic Mass:
205.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties