Home Carboxys 3-Pyridinecarboxylicacid, 2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]-

3-Pyridinecarboxylicacid, 2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]-

CAS No.:
38677-85-9
Catalog Number:
AG0078MC
Molecular Formula:
C14H11F3N2O2
Molecular Weight:
296.2445
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Product Description
Catalog Number:
AG0078MC
Chemical Name:
3-Pyridinecarboxylicacid, 2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]-
CAS Number:
38677-85-9
Molecular Formula:
C14H11F3N2O2
Molecular Weight:
296.2445
MDL Number:
MFCD00072033
IUPAC Name:
2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
InChI:
InChI=1S/C14H11F3N2O2/c1-8-10(14(15,16)17)5-2-6-11(8)19-12-9(13(20)21)4-3-7-18-12/h2-7H,1H3,(H,18,19)(H,20,21)
InChI Key:
NOOCSNJCXJYGPE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccnc1Nc1cccc(c1C)C(F)(F)F
EC Number:
609-571-6
UNII:
356IB1O400
Properties
Complexity:
376  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.077g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
296.249g/mol
Monoisotopic Mass:
296.077g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Literature
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