Home Carboxys 6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid

6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid

CAS No.:
1896831-02-9
Catalog Number:
AG01DKFP
Molecular Formula:
C8H4F3N3O2
Molecular Weight:
231.1315
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Product Description
Catalog Number:
AG01DKFP
Chemical Name:
6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid
CAS Number:
1896831-02-9
Molecular Formula:
C8H4F3N3O2
Molecular Weight:
231.1315
MDL Number:
MFCD31652636
IUPAC Name:
6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid
InChI:
InChI=1S/C8H4F3N3O2/c9-8(10,11)4-1-2-5-12-6(7(15)16)13-14(5)3-4/h1-3H,(H,15,16)
InChI Key:
MJQIUZLIHKYVNX-UHFFFAOYSA-N
SMILES:
OC(=O)c1nn2c(n1)ccc(c2)C(F)(F)F
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.026g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.134g/mol
Monoisotopic Mass:
231.026g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties