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4,4'-Vinylenedipyridine

CAT: 0572-TRC-V375015-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-V375015-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13362-78-2
Synonyms
(E)-4,4'-Vinylenedipyridine;1,2-trans-(4-Pyridyl)ethene;1,2-trans-Bis(4-pyridyl)ethene;1,2-trans-Bis(4-pyridyl)ethylene;SERS 440;
Hazard Statement
No Data Available
Smiles
[2H]C1([2H])N(C(=O)OC2N(C(=O)c3nccnc23)c4ccc(Cl)cn4)C([2H])([2H])C([2H])([2H])N(=O)(C)C1([2H])[2H]
Molecular Formula
C17 D8 H9 Cl N6 O4
Molecular Weight
412.857
InChI
InChI=1S/C17H17ClN6O4/c1-24(27)8-6-22(7-9-24)17(26)28-16-14-13(19-4-5-20-14)15(25)23(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3/i6D2,7D2,8D2,9D2
Additionnal Information
IUPAC name: [6-(5-chloropyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 2,2,3,3,5,5,6,6-octadeuterio-4-methyl-4-oxo-1,4λ5-diazinane-1-carboxylate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Pyridine, 4,4'-(1E)-1,2-ethenediylbis-
CAS Number13362-78-2
PubChem CID776222
IUPAC Name4-[(E)-2-pyridin-4-ylethenyl]pyridine
Molecular FormulaC12H10N2
Molecular Weight182.22
XLogP2.1
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity157
SMILES
C1=CN=CC=C1/C=C/C2=CC=NC=C2
InChI
InChI=1S/C12H10N2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h1-10H/b2-1+
InChIKey
MGFJDEHFNMWYBD-OWOJBTEDSA-N
Chemical Structure
2D Structure
2D structure of Pyridine, 4,4'-(1E)-1,2-ethenediylbis-
CAS: 13362-78-2
CID: 776222
Formula: C12H10N2
MW: 182.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.22
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass182.084398327
Monoisotopic Mass182.084398327
Topological Polar Surface Area25.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity157
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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