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51759-60-5

51759-60-5 | 5-nitro-2-(pyridin-2-yl)-1H-1,3-benzodiazole

CAS No: 51759-60-5 Catalog No: AG01AGTY MDL No:MFCD00022691

Product Description

Catalog Number:
AG01AGTY
Chemical Name:
5-nitro-2-(pyridin-2-yl)-1H-1,3-benzodiazole
CAS Number:
51759-60-5
Molecular Formula:
C12H8N4O2
Molecular Weight:
240.2175
MDL Number:
MFCD00022691
IUPAC Name:
6-nitro-2-pyridin-2-yl-1H-benzimidazole
InChI:
InChI=1S/C12H8N4O2/c17-16(18)8-4-5-9-11(7-8)15-12(14-9)10-3-1-2-6-13-10/h1-7H,(H,14,15)
InChI Key:
VRZGTMSSHMHGPC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)nc([nH]2)c1ccccn1
NSC Number:
308788

Properties

Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.065g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.222g/mol
Monoisotopic Mass:
240.065g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Literature

Title Journal
Subtype-selectivity of metal-dependent methionine aminopeptidase inhibitors. Bioorganic & medicinal chemistry letters 20100715
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Metal-mediated inhibition of Escherichia coli methionine aminopeptidase: structure-activity relationships and development of a novel scoring function for metal-ligand interactions. Journal of medicinal chemistry 20060126

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