Chemical ID: 5068586

Cc1cc(nc(c1C#N)Nc2cc(cc(c2)Cl)Cl)C
Chemical ID:
5068586
Name [?]:
2-(3,5-dichlorophenyl)amino-4,6-dimethyl-pyridine-3-carbonitrile
SMILES [?]:
Cc1cc(nc(c1C#N)Nc2cc(cc(c2)Cl)Cl)C
InChi [?]:
InChI=1/C14H11Cl2N3/c1-8-3-9(2)18-14(13(8)7-17)19-12-5-10(15)4-11(16)6-12/h3-6H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,19,3,14,12,16,8,2,4,13,15,11,7,6,18,17,9,5,10/E:(5,6)(10,11)(15,16)/rA:19nCCCCNCCCNNCCCCCCClClC/rB:s1;s2;d3;s4;d5;d2s6;s7;t8;s6;s10;s11;d12;s13;d14;d11s15;s15;s13;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11Cl2N3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.5691
Area:481.702
Solvation:-1.47341
Coulombic:-21.0115
Bond Count [?]
All:20
Single:13
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:292.163
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.86
LogP (Chemaxon):4.17

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