Chemical ID: 4164916

CCOC(=O)c1ccc(nc1C)C
Chemical ID:
4164916
Name [?]:
ethyl 2,6-dimethylpyridine-3-carboxylate
SMILES [?]:
CCOC(=O)c1ccc(nc1C)C
InChi [?]:
InChI=1/C10H13NO2/c1-4-13-10(12)9-6-5-7(2)11-8(9)3/h5-6H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,13,12,2,8,7,9,11,6,4,10,5,3/rA:13nCCOCOCCCCNCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s9;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13NO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.37197
Area:360.698
Solvation:-1.64548
Coulombic:-24.3364
Bond Count [?]
All:13
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:179.216
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.76
LogP (Chemaxon):0.97

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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