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Chemical ID: 6697402
Chemical ID:
6697402
Name [?]:
2-(1H-pyridin-2-yl)-6-(2-pyridyl)pyridine
SMILES [?]:
c1cc[nH+]c(c1)c2cccc(n2)c3ccccn3
InChi [?]:
InChI=1/C15H11N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13/h1-11H/p+1
InChi Info:
AuxInfo=1/1/N:1,15,2,16,9,6,14,8,10,3,17,5,13,7,11,4,18,12/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:18nCCCN+CCCCCCCNCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s11;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12N3+ |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -22.1259 |
Area: | 423.116 |
Solvation: | -32.7038 |
Coulombic: | -4.92844 |
Bond Count [?]
All: | 20 |
Single: | 11 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 234.276 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.5 |
LogP (Chemaxon): | 3.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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