2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one

C7H4ClF3INO2 — CID 118832470

IUPAC2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESO=c1cc(I)[nH]c(CCl)c1OC(F)(F)F
InChIInChI=1S/C7H4ClF3INO2/c8-2-3-6(15-7(9,10)11)4(14)1-5(12)13-3/h1H,2H2,(H,13,14)
InChIKeyDLDFESRLBBVMTK-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.62
Rot. Bonds2

About 2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one

2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 118832470) has the molecular formula C7H4ClF3INO2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID118832470
Molecular FormulaC7H4ClF3INO2
Molecular Weight353.47 g/mol
Exact Mass352.89
IUPAC Name2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESO=c1cc(I)[nH]c(CCl)c1OC(F)(F)F
InChIInChI=1S/C7H4ClF3INO2/c8-2-3-6(15-7(9,10)11)4(14)1-5(12)13-3/h1H,2H2,(H,13,14)
InChIKeyDLDFESRLBBVMTK-UHFFFAOYSA-N
XLogP2.62
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one (CID 118832470) is 2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one is O=c1cc(I)[nH]c(CCl)c1OC(F)(F)F.
What is the InChIKey of 2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is DLDFESRLBBVMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3INO2/c8-2-3-6(15-7(9,10)11)4(14)1-5(12)13-3/h1H,2H2,(H,13,14).
What are the key properties of 2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one?
2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one has a molecular weight of 353.47 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 118832470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).