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Chemical ID: 6682771
Chemical ID:
6682771
Name [?]:
2-(1H-pyridin-2-yl)pyridine
SMILES [?]:
c1cc[nH+]c(c1)c2ccccn2
InChi [?]:
InChI=1/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H/p+1
InChi Info:
AuxInfo=1/1/N:1,9,2,10,6,8,3,11,5,7,4,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:12nCCCN+CCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9N2+ |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -23.7865 |
Area: | 320.321 |
Solvation: | -31.7945 |
Coulombic: | 1.02404 |
Bond Count [?]
All: | 13 |
Single: | 7 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 157.192 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 1.64 |
LogP (Chemaxon): | 1.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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