Chemical ID: 6689661

Cc1c(c(cc[n+]1[O-])Cl)OC
Chemical ID:
6689661
Name [?]:
4-chloro-3-methoxy-2-methyl-1-oxido-pyridine
SMILES [?]:
Cc1c(c(cc[n+]1[O-])Cl)OC
InChi [?]:
InChI=1/C7H8ClNO2/c1-5-7(11-2)6(8)3-4-9(5)10/h3-4H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,5,6,2,4,3,9,7,8,10/CRV:9.5/rA:11nCCCCCCN+O-ClOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s3;s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H8ClNO2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:-2.28967
Area:317.283
Solvation:-10.2217
Coulombic:-19.419
Bond Count [?]
All:11
Single:8
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:173.597
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.1
LogP (Chemaxon):-0.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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