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Chemical ID: 6689661
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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