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

C8H4F6INO2 — CID 134680738

IUPAC4-iodo-6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
SMILESCOc1cc(I)c(C(F)(F)F)c(OC(F)(F)F)n1
InChIInChI=1S/C8H4F6INO2/c1-17-4-2-3(15)5(7(9,10)11)6(16-4)18-8(12,13)14/h2H,1H3
InChIKeyYEWAOVDBWNVOGF-UHFFFAOYSA-N
MW387.02 g/mol
LogP3.61
Rot. Bonds2

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

4-iodo-6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine (PubChem CID 134680738) has the molecular formula C8H4F6INO2 and a molecular weight of 387.02 g/mol. Its IUPAC name is 4-iodo-6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-iodo-6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
PubChem CID134680738
Molecular FormulaC8H4F6INO2
Molecular Weight387.02 g/mol
Exact Mass386.92
IUPAC Name4-iodo-6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
SMILESCOc1cc(I)c(C(F)(F)F)c(OC(F)(F)F)n1
InChIInChI=1S/C8H4F6INO2/c1-17-4-2-3(15)5(7(9,10)11)6(16-4)18-8(12,13)14/h2H,1H3
InChIKeyYEWAOVDBWNVOGF-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

6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 134680043
3-(bromomethyl)-6-methoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134671279
4-iodo-3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134666974
6-iodo-2-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 129319241
4-chloro-6-methoxy-2-(trifluoromethoxy)pyridin-3-ol
CID 118817216
ethyl 2-[4-iodo-6-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 134679428
2-(chloromethyl)-4-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134676595
4-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131312152
4-(hydroxymethyl)-6-methoxy-2-(trifluoromethoxy)pyridin-3-ol
CID 134665683
ethyl 2-[3-iodo-6-methoxy-2-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134659134
5-iodo-3-methyl-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134666162
2-[6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134669973

Frequently Asked Questions

What is the IUPAC name of 4-iodo-6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
The IUPAC name of 4-iodo-6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine (CID 134680738) is 4-iodo-6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-iodo-6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 4-iodo-6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine is COc1cc(I)c(C(F)(F)F)c(OC(F)(F)F)n1.
What is the InChIKey of 4-iodo-6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
The InChIKey is YEWAOVDBWNVOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6INO2/c1-17-4-2-3(15)5(7(9,10)11)6(16-4)18-8(12,13)14/h2H,1H3.
What are the key properties of 4-iodo-6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
4-iodo-6-methoxy-2-(trifluoromethoxy)-3-(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-6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 134680738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).