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Chemical ID: 6374549
Chemical ID:
6374549
Name [?]:
N,N'-bis(2-bromophenyl)pyridine-2,6-dicarboxamide
SMILES [?]:
c1ccc(c(c1)NC(=O)c2cccc(n2)C(=O)Nc3ccccc3Br)Br
InChi [?]:
InChI=1/C19H13Br2N3O2/c20-12-6-1-3-8-14(12)23-18(25)16-10-5-11-17(22-16)19(26)24-15-9-4-2-7-13(15)21/h1-11H,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:2,22,1,21,12,3,23,6,20,11,13,4,24,5,19,10,14,8,16,26,25,15,7,18,9,17/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(23,24)(25,26)/gE:(1,2)/rA:26nCCCCCCNCOCCCCCNCONCCCCCCBrBr/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H13Br2N3O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7765 |
Area: | 554.795 |
Solvation: | -2.09333 |
Coulombic: | -53.1927 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 475.134 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.49 |
LogP (Chemaxon): | 3.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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