Chemical ID: 7226807

c1cc(c[nH+]c1)Br
Chemical ID:
7226807
Name [?]:
3-bromo-1H-pyridine
SMILES [?]:
c1cc(c[nH+]c1)Br
InChi [?]:
InChI=1/C5H4BrN/c6-5-2-1-3-7-4-5/h1-4H/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,4,3,7,5/rA:7nCCCCN+CBr/rB:s1;d2;s3;d4;d1s5;s3;/rC:;;;;;;;

Chemical Details

Atom Count
Formula:C5H5BrN+
All Atoms:12
Heavy Atoms:7
Chiral Atoms:0
ZAP Information [?]
Total:-28.5266
Area:247.204
Solvation:-34.7067
Coulombic:10.387
Bond Count [?]
All:7
Single:4
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:159.004
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.57
LogP (Chemaxon):1.53

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue