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Chemical ID: 5573633
Chemical ID:
5573633
Name [?]:
2,4,6-trimethyl-1-oxido-pyridine
SMILES [?]:
Cc1cc([n+](c(c1)C)[O-])C
InChi [?]:
InChI=1/C8H11NO/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,10,7,3,2,6,4,5,9/E:(2,3)(4,5)(7,8)/CRV:9.5/rA:10nCCCCN+CCCO-C/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s4;/rC:;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H11NO |
All Atoms: | 10 |
Heavy Atoms: | 10 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -1.70978 |
Area: | 295.625 |
Solvation: | -9.10039 |
Coulombic: | -11.0628 |
Bond Count [?]
All: | 10 |
Single: | 7 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 137.179 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.31 |
LogP (Chemaxon): | 0.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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