2,4,5-triiodo-3-(trifluoromethoxy)pyridine

C6HF3I3NO — CID 130094431

IUPAC2,4,5-triiodo-3-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1c(I)ncc(I)c1I
InChIInChI=1S/C6HF3I3NO/c7-6(8,9)14-4-3(11)2(10)1-13-5(4)12/h1H
InChIKeyGNJRZSDMZHHZHB-UHFFFAOYSA-N
MW540.79 g/mol
LogP3.79
Rot. Bonds1

About 2,4,5-triiodo-3-(trifluoromethoxy)pyridine

2,4,5-triiodo-3-(trifluoromethoxy)pyridine (PubChem CID 130094431) has the molecular formula C6HF3I3NO and a molecular weight of 540.79 g/mol. Its IUPAC name is 2,4,5-triiodo-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2,4,5-triiodo-3-(trifluoromethoxy)pyridine
PubChem CID130094431
Molecular FormulaC6HF3I3NO
Molecular Weight540.79 g/mol
Exact Mass540.71
IUPAC Name2,4,5-triiodo-3-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1c(I)ncc(I)c1I
InChIInChI=1S/C6HF3I3NO/c7-6(8,9)14-4-3(11)2(10)1-13-5(4)12/h1H
InChIKeyGNJRZSDMZHHZHB-UHFFFAOYSA-N
XLogP3.79
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.79
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,5-diiodo-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095491
2,3-dibromo-5-iodo-4-(trifluoromethoxy)pyridine
CID 119011660
4,5-diiodo-2-(trifluoromethoxy)pyridin-3-ol
CID 131059755
2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119025125
3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)pyridin-2-amine
CID 118993609
4-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)pyridine
CID 131096509
4-(aminomethyl)-6-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134666863
5-amino-6-iodo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131624819
2-iodo-3-methoxy-4-methyl-5-(trifluoromethoxy)pyridine
CID 130112538
6-iodo-5-methyl-4-(trifluoromethoxy)pyridin-3-ol
CID 130111106
4-(chloromethyl)-5-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
CID 118829122
4-(fluoromethyl)-2-iodo-5-methoxy-3-(trifluoromethoxy)pyridine
CID 118801343

Frequently Asked Questions

What is the IUPAC name of 2,4,5-triiodo-3-(trifluoromethoxy)pyridine?
The IUPAC name of 2,4,5-triiodo-3-(trifluoromethoxy)pyridine (CID 130094431) is 2,4,5-triiodo-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2,4,5-triiodo-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 2,4,5-triiodo-3-(trifluoromethoxy)pyridine is FC(F)(F)Oc1c(I)ncc(I)c1I.
What is the InChIKey of 2,4,5-triiodo-3-(trifluoromethoxy)pyridine?
The InChIKey is GNJRZSDMZHHZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF3I3NO/c7-6(8,9)14-4-3(11)2(10)1-13-5(4)12/h1H.
What are the key properties of 2,4,5-triiodo-3-(trifluoromethoxy)pyridine?
2,4,5-triiodo-3-(trifluoromethoxy)pyridine has a molecular weight of 540.79 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-triiodo-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130094431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).