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Chemical ID: 5579831
Chemical ID:
5579831
Name [?]:
[2-(4-methyl-2-pyridyl)-4-pyridyl]methanol
SMILES [?]:
Cc1ccnc(c1)c2cc(ccn2)CO
InChi [?]:
InChI=1/C12H12N2O/c1-9-2-4-13-11(6-9)12-7-10(8-15)3-5-14-12/h2-7,15H,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,11,4,12,7,9,14,2,10,6,8,5,13,15/rA:15nCCCCNCCCCCCCNCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;d8s12;s10;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H12N2O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.6688 |
Area: | 383.88 |
Solvation: | -2.92821 |
Coulombic: | -27.1513 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 200.237 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 1.26 |
LogP (Chemaxon): | 1.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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