Chemical ID: 6684317

CCOC(=O)c1cccnc1C
Chemical ID:
6684317
Name [?]:
ethyl 2-methylpyridine-3-carboxylate
SMILES [?]:
CCOC(=O)c1cccnc1C
InChi [?]:
InChI=1/C9H11NO2/c1-3-12-9(11)8-5-4-6-10-7(8)2/h4-6H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,8,7,9,11,6,4,10,5,3/rA:12nCCOCOCCCCNCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.71229
Area:335.111
Solvation:-1.66547
Coulombic:-24.5316
Bond Count [?]
All:12
Single:8
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:165.189
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.44
LogP (Chemaxon):0.8

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue