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492-73-9 | 2,2′-Pyridil
CAS No: 492-73-9 Catalog No: AG003F9F MDL No:MFCD00006301
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 |
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