Molecule

ID:22337

General Information
Structure
Molecular Formula
C₆H₆INO
Molecular Mass
235.02241
Exact Mass
234.94941182
Charge
0
InChI
InChI=1S/C6H6INO/c1-9-6-2-5(7)3-8-4-6/h2-4H,1H3
InChIKey
UJKNMHKWMSUTME-UHFFFAOYSA-N
Canonic Smiles
COc1cc(I)cnc1
Isomeric Smiles
c1(cncc(c1)I)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.525144
LogD (pH = 7.4)
1.5268251
Log P
1.5268466
Molar Refractivity
43.7268
Polarizability
17.22574
Polar Surface Area
22.12
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
Navigation
CAS 873302-36-4|3-Iodo-5-methoxy-pyridine|3-iodo-5-methoxypyridine|3-iodo-5-methoxypyridine|3-Iodo-5-methoxy-pyridine | Molfinder