Chemical ID: 5428498

C=CCNC(=O)c1cc(c(nc1)Cl)Cl
Chemical ID:
5428498
Name [?]:
N-allyl-5,6-dichloro-pyridine-3-carboxamide
SMILES [?]:
C=CCNC(=O)c1cc(c(nc1)Cl)Cl
InChi [?]:
InChI=1/C9H8Cl2N2O/c1-2-3-12-9(14)6-4-7(10)8(11)13-5-6/h2,4-5H,1,3H2,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,2,3,8,12,7,9,10,5,14,13,4,11,6/rA:14nCCCNCOCCCCNCClCl/rB:d1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s9;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8Cl2N2O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:8.3706
Area:406.77
Solvation:-1.79865
Coulombic:-29.0453
Bond Count [?]
All:14
Single:9
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:231.078
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.12
LogP (Chemaxon):1.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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