Chemical ID: 5573620

Cc1c(cc[n+](c1Cl)[O-])[N+](=O)[O-]
Chemical ID:
5573620
Name [?]:
6-chloro-5-methyl-4-nitro-1-oxido-pyridine
SMILES [?]:
Cc1c(cc[n+](c1Cl)[O-])[N+](=O)[O-]
InChi [?]:
InChI=1/C6H5ClN2O3/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+CClO-N+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s3;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H5ClN2O3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-7.63862
Area:324.371
Solvation:-15.7479
Coulombic:-19.2501
Bond Count [?]
All:12
Single:8
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:188.568
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.95
LogP (Chemaxon):0.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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