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Chemical ID: 5609566
Chemical ID:
5609566
Name [?]:
N,N'-bis(4-iodophenyl)pyridine-2,6-dicarboxamide
SMILES [?]:
c1cc(nc(c1)C(=O)Nc2ccc(cc2)I)C(=O)Nc3ccc(cc3)I
InChi [?]:
InChI=1/C19H13I2N3O2/c20-12-4-8-14(9-5-12)22-18(25)16-2-1-3-17(24-16)19(26)23-15-10-6-13(21)7-11-15/h1-11H,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,22,24,12,14,21,25,11,15,23,13,20,10,3,5,17,7,26,16,19,9,4,18,8/E:(2,3)(4,5,6,7)(8,9,10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(25,26)/gE:(1,2)/rA:26nCCCNCCCONCCCCCCICONCCCCCCI/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;s3;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H13I2N3O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.3794 |
Area: | 628.533 |
Solvation: | -2.33391 |
Coulombic: | -52.0626 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 569.134 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.03 |
LogP (Chemaxon): | 5.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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