5-iodo-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine

C8H4F6INO2 — CID 134680470

IUPAC5-iodo-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
SMILESCOc1c(I)cnc(C(F)(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H4F6INO2/c1-17-4-3(15)2-16-6(7(9,10)11)5(4)18-8(12,13)14/h2H,1H3
InChIKeyPZQGLVCESLZZAD-UHFFFAOYSA-N
MW387.02 g/mol
LogP3.61
Rot. Bonds2

About 5-iodo-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine

5-iodo-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine (PubChem CID 134680470) has the molecular formula C8H4F6INO2 and a molecular weight of 387.02 g/mol. Its IUPAC name is 5-iodo-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-iodo-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
PubChem CID134680470
Molecular FormulaC8H4F6INO2
Molecular Weight387.02 g/mol
Exact Mass386.92
IUPAC Name5-iodo-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
SMILESCOc1c(I)cnc(C(F)(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H4F6INO2/c1-17-4-3(15)2-16-6(7(9,10)11)5(4)18-8(12,13)14/h2H,1H3
InChIKeyPZQGLVCESLZZAD-UHFFFAOYSA-N
XLogP3.61
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.02
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-3-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134666954
5-(bromomethyl)-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134660474
methyl 5-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134668443
ethyl 4-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134679107
5-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 134665255
4-iodo-3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134666974
2,3-dibromo-5-iodo-4-(trifluoromethoxy)pyridine
CID 119011660
4-(difluoromethyl)-5-iodo-2-methoxy-3-(trifluoromethoxy)pyridine
CID 118840777
[5-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 134662772
2,4,5-triiodo-3-(trifluoromethoxy)pyridine
CID 130094431
3-iodo-4-methoxy-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134666970
3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)pyridin-2-amine
CID 118993609

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-iodo-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine (CID 134680470) is 5-iodo-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-iodo-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-iodo-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine is COc1c(I)cnc(C(F)(F)F)c1OC(F)(F)F.
What is the InChIKey of 5-iodo-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
The InChIKey is PZQGLVCESLZZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6INO2/c1-17-4-3(15)2-16-6(7(9,10)11)5(4)18-8(12,13)14/h2H,1H3.
What are the key properties of 5-iodo-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
5-iodo-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine has a molecular weight of 387.02 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 134680470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).