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Home Other Building Blocks 2,2'-Pyridil

2,2'-Pyridil

CAS No.:
492-73-9
Catalog Number:
AG003F9F
Molecular Formula:
C12H8N2O2
Molecular Weight:
212.2041
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$38
- +
5g
95%
In Stock USA
United States
$110
- +
25g
95%
In Stock USA
United States
$375
- +
Product Description
Catalog Number:
AG003F9F
Chemical Name:
2,2'-Pyridil
CAS Number:
492-73-9
Molecular Formula:
C12H8N2O2
Molecular Weight:
212.2041
MDL Number:
MFCD00006301
IUPAC Name:
1,2-dipyridin-2-ylethane-1,2-dione
InChI:
InChI=1S/C12H8N2O2/c15-11(9-5-1-3-7-13-9)12(16)10-6-2-4-8-14-10/h1-8H
InChI Key:
PIINXYKJQGMIOZ-UHFFFAOYSA-N
SMILES:
O=C(C(=O)c1ccccn1)c1ccccn1
EC Number:
207-759-9
NSC Number:
16545
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.059g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.208g/mol
Monoisotopic Mass:
212.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
2-Phenyl-4,5-di-2-pyridyl-1H-imidazole. Acta crystallographica. Section E, Structure reports online 20100101
N-(1H-1,2,4-Triazol-5-yl)pyridine-2-carboxamide. Acta crystallographica. Section E, Structure reports online 20091101
Comparison of benzil and trifluoromethyl ketone (TFK)-mediated carboxylesterase inhibition using classical and 3D-quantitative structure-activity relationship analysis. Bioorganic & medicinal chemistry 20090101
2,2'-Pyridoin derivatives protect HL-60 cells against oxidative stress. Bioorganic & medicinal chemistry letters 20081001
Inhibition of carboxylesterases by benzil (diphenylethane-1,2-dione) and heterocyclic analogues is dependent upon the aromaticity of the ring and the flexibility of the dione moiety. Journal of medicinal chemistry 20050825
Properties