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Chemical ID: 4663927
Chemical ID:
4663927
Name [?]:
5-bromo-N-isobutyl-pyridin-2-amine
SMILES [?]:
CC(C)CNc1ccc(cn1)Br
InChi [?]:
InChI=1/C9H13BrN2/c1-7(2)5-11-9-4-3-8(10)6-12-9/h3-4,6-7H,5H2,1-2H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,3,8,7,4,10,2,9,6,12,5,11/E:(1,2)/rA:12nCCCCNCCCCCNBr/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s9;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H13BrN2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.8141 |
Area: | 362.806 |
Solvation: | -1.25606 |
Coulombic: | -17.7374 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 229.117 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.02 |
LogP (Chemaxon): | 3.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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