ChemDB: Chemical Search
Download
Chemical ID: 5149826
Chemical ID:
5149826
Name [?]:
5-methoxy-6-methyl-pyridine-2-carboxylic acid
SMILES [?]:
Cc1c(ccc(n1)C(=O)O)OC
InChi [?]:
InChI=1/C8H9NO3/c1-5-7(12-2)4-3-6(9-5)8(10)11/h3-4H,1-2H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,12,5,4,2,6,3,8,7,9,10,11/E:(10,11)/rA:12nCCCCCCNCOOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s3;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H9NO3 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.25992 |
Area: | 326.376 |
Solvation: | -2.89948 |
Coulombic: | -40.6185 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 167.162 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | -1.46 |
LogP (Chemaxon): | -1.12 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|