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Chemical ID: 7254867
Chemical ID:
7254867
Name [?]:
N-(3-iodo-4-methyl-phenyl)pyridine-2-carboxamide
SMILES [?]:
Cc1ccc(cc1I)NC(=O)c2ccccn2
InChi [?]:
InChI=1/C13H11IN2O/c1-9-5-6-10(8-11(9)14)16-13(17)12-4-2-3-7-15-12/h2-8H,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,14,15,13,3,4,16,6,2,5,7,12,10,8,17,9,11/rA:17nCCCCCCCINCOCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11IN2O |
All Atoms: | 28 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.32418 |
Area: | 437.435 |
Solvation: | -1.61168 |
Coulombic: | -28.7651 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 338.144 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.12 |
LogP (Chemaxon): | 3.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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