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Chemical ID: 4118295
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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