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Chemical ID: 5573626
Chemical ID:
5573626
Name [?]:
6-iodo-5-methyl-4-nitro-1-oxido-pyridine
SMILES [?]:
Cc1c(cc[n+](c1I)[O-])[N+](=O)[O-]
InChi [?]:
InChI=1/C6H5IN2O3/c1-4-5(9(11)12)2-3-8(10)6(4)7/h2-3H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,2,3,7,8,6,10,9,11,12/E:(11,12)/CRV:8.5,9.5/rA:12nCCCCCN+CIO-N+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s3;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H5IN2O3 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -7.18053 |
Area: | 335.439 |
Solvation: | -15.5665 |
Coulombic: | -18.8094 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 280.02 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.4 |
LogP (Chemaxon): | 0.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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