Chemical ID: 6712476

CCNC(=O)c1cc(nc(c1)Cl)Cl
Chemical ID:
6712476
Name [?]:
2,6-dichloro-N-ethyl-pyridine-4-carboxamide
SMILES [?]:
CCNC(=O)c1cc(nc(c1)Cl)Cl
InChi [?]:
InChI=1/C8H8Cl2N2O/c1-2-11-8(13)5-3-6(9)12-7(10)4-5/h3-4H,2H2,1H3,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,2,7,11,6,8,10,4,13,12,3,9,5/E:(3,4)(6,7)(9,10)/rA:13nCCNCOCCCNCCClCl/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s10;s8;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8Cl2N2O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:8.0772
Area:395.693
Solvation:-1.81513
Coulombic:-27.7692
Bond Count [?]
All:13
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:219.067
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.02
LogP (Chemaxon):1.75

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Descriptor Annotations

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