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Chemical ID: 7254930
Chemical ID:
7254930
Name [?]:
N-(2-bromo-4-methyl-phenyl)pyridine-2-carboxamide
SMILES [?]:
Cc1ccc(c(c1)Br)NC(=O)c2ccccn2
InChi [?]:
InChI=1/C13H11BrN2O/c1-9-5-6-11(10(14)8-9)16-13(17)12-4-2-3-7-15-12/h2-8H,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,14,15,13,3,4,16,7,2,6,5,12,10,8,17,9,11/rA:17nCCCCCCCBrNCOCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11BrN2O |
All Atoms: | 28 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.0717 |
Area: | 423.335 |
Solvation: | -1.51167 |
Coulombic: | -29.1939 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 291.143 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.07 |
LogP (Chemaxon): | 2.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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