Chemical ID: 4118295

c1cc(nc(c1C#N)Cl)C(F)(F)F
Chemical ID:
4118295
Name [?]:
2-chloro-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILES [?]:
c1cc(nc(c1C#N)Cl)C(F)(F)F
InChi [?]:
InChI=1/C7H2ClF3N2/c8-6-4(3-12)1-2-5(13-6)7(9,10)11/h1-2H
InChi Info:
AuxInfo=1/0/N:1,2,7,6,3,5,10,9,11,12,13,8,4/E:(9,10,11)/rA:13nCCCNCCCNClCFFF/rB:s1;d2;s3;d4;d1s5;s6;t7;s5;s3;s10;s10;s10;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H2ClF3N2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.15515
Area:332.815
Solvation:-2.16522
Coulombic:-28.257
Bond Count [?]
All:13
Single:9
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:206.552
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.22
LogP (Chemaxon):2.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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