ChemDB: Chemical Search
Download
Chemical ID: 4122480
Chemical ID:
4122480
Name [?]:
ethyl 2-chloropyridine-3-carboxylate
SMILES [?]:
CCOC(=O)c1cccnc1Cl
InChi [?]:
InChI=1/C8H8ClNO2/c1-2-12-8(11)6-4-3-5-10-7(6)9/h3-5H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,8,7,9,6,11,4,12,10,5,3/rA:12nCCOCOCCCCNCCl/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H8ClNO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.83961 |
Area: | 346.345 |
Solvation: | -1.81901 |
Coulombic: | -25.3851 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 185.607 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.84 |
LogP (Chemaxon): | 1.51 |
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 |
---|