Home Carboxys trifluoroacetic acid methyl 5-methyl-3H-imidazo[4,5-b]pyridine-7-carboxylate

trifluoroacetic acid methyl 5-methyl-3H-imidazo[4,5-b]pyridine-7-carboxylate

CAS No.:
1803589-98-1
Catalog Number:
AG01AFAA
Molecular Formula:
C11H10F3N3O4
Molecular Weight:
305.2100
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Product Description
Catalog Number:
AG01AFAA
Chemical Name:
trifluoroacetic acid methyl 5-methyl-3H-imidazo[4,5-b]pyridine-7-carboxylate
CAS Number:
1803589-98-1
Molecular Formula:
C11H10F3N3O4
Molecular Weight:
305.2100
MDL Number:
MFCD27500785
IUPAC Name:
methyl 5-methyl-1H-imidazo[4,5-b]pyridine-7-carboxylate;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C9H9N3O2.C2HF3O2/c1-5-3-6(9(13)14-2)7-8(12-5)11-4-10-7;3-2(4,5)1(6)7/h3-4H,1-2H3,(H,10,11,12);(H,6,7)
InChI Key:
RHVHSCXOHMQISX-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.COC(=O)c1cc(C)nc2c1nc[nH]2
Properties
Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.062g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
305.213g/mol
Monoisotopic Mass:
305.062g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties