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Chemical ID: 6766912
Chemical ID:
6766912
Name [?]:
N-(3,5-dichlorophenyl)pyridine-2-carboxamide
SMILES [?]:
c1ccnc(c1)C(=O)Nc2cc(cc(c2)Cl)Cl
InChi [?]:
InChI=1/C12H8Cl2N2O/c13-8-5-9(14)7-10(6-8)16-12(17)11-3-1-2-4-15-11/h1-7H,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,13,11,15,12,14,10,5,7,17,16,4,9,8/E:(6,7)(8,9)(13,14)/rA:17nCCCNCCCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s12;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H8Cl2N2O |
All Atoms: | 25 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.52924 |
Area: | 445.515 |
Solvation: | -1.60864 |
Coulombic: | -29.0553 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 267.11 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.07 |
LogP (Chemaxon): | 3.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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