Chemical ID: 5779174

Cc1c(c(nc(c1Cl)C)Cl)C(=O)O
Chemical ID:
5779174
Name [?]:
2,5-dichloro-4,6-dimethyl-pyridine-3-carboxylic acid
SMILES [?]:
Cc1c(c(nc(c1Cl)C)Cl)C(=O)O
InChi [?]:
InChI=1/C8H7Cl2NO2/c1-3-5(8(12)13)7(10)11-4(2)6(3)9/h1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,9,2,6,3,7,4,11,8,10,5,12,13/E:(12,13)/rA:13nCCCCNCCClCClCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s3;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7Cl2NO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.48514
Area:361.803
Solvation:-1.55993
Coulombic:-32.8654
Bond Count [?]
All:13
Single:9
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:220.052
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.26
LogP (Chemaxon):2.3

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