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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

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

Structural Alerts

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

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
EPA CompTox Dashboard DTXSID0024187
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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