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Chemical ID: 4687007
Chemical ID:
4687007
Name [?]:
5-(3-chloro-2-pyridyl)-1-methyl-pyridin-2-one
SMILES [?]:
Cn1cc(ccc1=O)c2c(cccn2)Cl
InChi [?]:
InChI=1/C11H9ClN2O/c1-14-7-8(4-5-10(14)15)11-9(12)3-2-6-13-11/h2-7H,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,5,6,13,3,4,10,7,9,15,14,2,8/rA:15nCNCCCCCOCCCCCNCl/rB:s1;s2;d3;s4;d5;s2s6;d7;s4;s9;d10;s11;d12;d9s13;s10;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H9ClN2O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.37407 |
Area: | 380.803 |
Solvation: | -2.146 |
Coulombic: | -21.967 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 220.655 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.35 |
LogP (Chemaxon): | 2.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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