4-iodo-3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine

C8H4F6INO2 — CID 134666974

IUPAC4-iodo-3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
SMILESCOc1c(I)cc(OC(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C8H4F6INO2/c1-17-5-3(15)2-4(18-8(12,13)14)16-6(5)7(9,10)11/h2H,1H3
InChIKeyVUEJJZZMTFRVEM-UHFFFAOYSA-N
MW387.02 g/mol
LogP3.61
Rot. Bonds2

About 4-iodo-3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine

4-iodo-3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine (PubChem CID 134666974) has the molecular formula C8H4F6INO2 and a molecular weight of 387.02 g/mol. Its IUPAC name is 4-iodo-3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-iodo-3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
PubChem CID134666974
Molecular FormulaC8H4F6INO2
Molecular Weight387.02 g/mol
Exact Mass386.92
IUPAC Name4-iodo-3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
SMILESCOc1c(I)cc(OC(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C8H4F6INO2/c1-17-5-3(15)2-4(18-8(12,13)14)16-6(5)7(9,10)11/h2H,1H3
InChIKeyVUEJJZZMTFRVEM-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

4-iodo-3-methyl-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134681197
methyl 3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134677123
5-iodo-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134680470
5-iodo-3-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134666954
4-(difluoromethyl)-2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine
CID 118823728
[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118807180
4-(bromomethyl)-6-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134671271
4-iodo-6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134680738
2,4-diiodo-6-(trifluoromethoxy)pyridin-3-amine
CID 131214175
4-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131312152
2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine-4-carbonyl chloride
CID 134675816
2-[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134675739

Frequently Asked Questions

What is the IUPAC name of 4-iodo-3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-iodo-3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine (CID 134666974) is 4-iodo-3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-iodo-3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-iodo-3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine is COc1c(I)cc(OC(F)(F)F)nc1C(F)(F)F.
What is the InChIKey of 4-iodo-3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
The InChIKey is VUEJJZZMTFRVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6INO2/c1-17-5-3(15)2-4(18-8(12,13)14)16-6(5)7(9,10)11/h2H,1H3.
What are the key properties of 4-iodo-3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
4-iodo-3-methoxy-6-(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 4-iodo-3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 134666974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).