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Home > Imidazoles > 129018-59-3
129018-59-3 | 1H-Imidazo[4,5-b]pyridine, 1-methyl-2-nitro-6-phenyl-
CAS No: 129018-59-3 Catalog No: AG000YSZ MDL No:
Product Description
Catalog Number:
AG000YSZ
Chemical Name:
1H-Imidazo[4,5-b]pyridine, 1-methyl-2-nitro-6-phenyl-
CAS Number:
129018-59-3
Molecular Formula:
C13H10N4O2
Molecular Weight:
254.2441
IUPAC Name:
1-methyl-2-nitro-6-phenylimidazo[4,5-b]pyridine
InChI:
InChI=1S/C13H10N4O2/c1-16-11-7-10(9-5-3-2-4-6-9)8-14-12(11)15-13(16)17(18)19/h2-8H,1H3
InChI Key:
YOWIYVXZLOSSJZ-UHFFFAOYSA-N
SMILES:
Cn1c2cc(cnc2nc1[N+](=O)[O-])c1ccccc1
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.249g/mol
Monoisotopic Mass:
254.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Mapping serum albumin adducts of the food-borne carcinogen 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine by data-dependent tandem mass spectrometry. | Chemical research in toxicology 20121015 |
| Mass spectrometric characterization of 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine N-oxidized metabolites bound at Cys34 of human serum albumin. | Chemical research in toxicology 20111121 |
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