Chemical ID: 4736008

Cc1ccc(c(n1)Cl)C#N
Chemical ID:
4736008
Name [?]:
2-chloro-6-methyl-pyridine-3-carbonitrile
SMILES [?]:
Cc1ccc(c(n1)Cl)C#N
InChi [?]:
InChI=1/C7H5ClN2/c1-5-2-3-6(4-9)7(8)10-5/h2-3H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,4,9,2,5,6,8,10,7/rA:10nCCCCCCNClCN/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;t9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H5ClN2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.41319
Area:308.228
Solvation:-1.2925
Coulombic:-9.02945
Bond Count [?]
All:10
Single:6
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:152.581
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.52
LogP (Chemaxon):1.61

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