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Chemical ID: 7254826
Chemical ID:
7254826
Name [?]:
N-(2-iodophenyl)pyridine-2-carboxamide
SMILES [?]:
c1ccc(c(c1)NC(=O)c2ccccn2)I
InChi [?]:
InChI=1/C12H9IN2O/c13-9-5-1-2-6-10(9)15-12(16)11-7-3-4-8-14-11/h1-8H,(H,15,16)
InChi Info:
AuxInfo=1/1/N:2,1,12,13,3,6,11,14,4,5,10,8,16,15,7,9/rA:16nCCCCCCNCOCCCCCNI/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s4;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H9IN2O |
All Atoms: | 25 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.84334 |
Area: | 414.393 |
Solvation: | -1.51648 |
Coulombic: | -29.3024 |
Bond Count [?]
All: | 17 |
Single: | 10 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 324.117 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.9 |
LogP (Chemaxon): | 2.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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