Chemical ID: 4687007

Cn1cc(ccc1=O)c2c(cccn2)Cl
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

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Descriptor Annotations

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