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Chemical ID: 5817251
Chemical ID:
5817251
Name [?]:
4-methyl-2-(4-methyl-2-pyridyl)-pyridine
SMILES [?]:
Cc1ccnc(c1)c2cc(ccn2)C
InChi [?]:
InChI=1/C12H12N2/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h3-8H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,3,11,4,12,7,9,2,10,6,8,5,13/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:14nCCCCNCCCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;d8s12;s10;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H12N2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.63505 |
Area: | 364.135 |
Solvation: | -1.46834 |
Coulombic: | -11.2376 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 184.237 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.51 |
LogP (Chemaxon): | 2.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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