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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL115849
CHEMBL115849
Compound Name IODOMETHANE
ChEMBL Synonyms Iodomethane
Max Phase 0
Trade Names
Molecular Formula CH3I

Additional synonyms for CHEMBL115849 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CI
Standard InChI InChI=1S/CH3I/c1-2/h1H3
Standard InChI Key INQOMBQAUSQDDS-UHFFFAOYSA-N

Structural Alerts

There are 6 structural alerts for CHEMBL115849. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL115849

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
141.9 141.9279 1.52 0 0 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
0 0 0 0 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.61 1.61 0 2 0.36

Compound Cross References

ChemSpider ChemSpider:INQOMBQAUSQDDS-UHFFFAOYSA-N
Wikipedia Methyl_iodide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL115849



ACToR 147937-07-3 74-88-4
ChEBI 39282
eMolecules 475694
FDA SRS DAT010ZJSR
KEGG Ligand C18448
Mcule MCULE-1718786667
MolPort MolPort-000-156-457
Nikkaji J1.063.962J J2.382E J1.245.462G
NMRShiftDB 20028919
PDBe 06C
PubChem 6328
PubChem: Thomson Pharma 15219094
SureChEMBL SCHEMBL498

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/INQOMBQAUSQDDS-UHFFFAOYSA-N spacer
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