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

C8H4F6INO — CID 134666162

IUPAC5-iodo-3-methyl-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
SMILESCc1c(OC(F)(F)F)ncc(I)c1C(F)(F)F
InChIInChI=1S/C8H4F6INO/c1-3-5(7(9,10)11)4(15)2-16-6(3)17-8(12,13)14/h2H,1H3
InChIKeyGFWLKOZEBKMTSF-UHFFFAOYSA-N
MW371.02 g/mol
LogP3.91
Rot. Bonds1

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

5-iodo-3-methyl-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine (PubChem CID 134666162) has the molecular formula C8H4F6INO and a molecular weight of 371.02 g/mol. Its IUPAC name is 5-iodo-3-methyl-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-iodo-3-methyl-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
PubChem CID134666162
Molecular FormulaC8H4F6INO
Molecular Weight371.02 g/mol
Exact Mass370.92
IUPAC Name5-iodo-3-methyl-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
SMILESCc1c(OC(F)(F)F)ncc(I)c1C(F)(F)F
InChIInChI=1S/C8H4F6INO/c1-3-5(7(9,10)11)4(15)2-16-6(3)17-8(12,13)14/h2H,1H3
InChIKeyGFWLKOZEBKMTSF-UHFFFAOYSA-N
XLogP3.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.02
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[5-iodo-3-methyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 130112723
5-iodo-3-methyl-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 130113000
5-iodo-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 134669439
ethyl 2-[5-iodo-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetate
CID 134660254
5-iodo-4-methyl-3-nitro-2-(trifluoromethoxy)pyridine
CID 134666993
[4-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130112708
methyl 5-iodo-4-methyl-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134660201
2-[5-iodo-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 134663062
4,5-diiodo-2-(trifluoromethoxy)pyridin-3-ol
CID 131059755
4,5-diiodo-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095491
[4-iodo-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130112707
3-iodo-4-methoxy-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134666970

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-methyl-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
The IUPAC name of 5-iodo-3-methyl-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine (CID 134666162) is 5-iodo-3-methyl-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-iodo-3-methyl-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 5-iodo-3-methyl-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine is Cc1c(OC(F)(F)F)ncc(I)c1C(F)(F)F.
What is the InChIKey of 5-iodo-3-methyl-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
The InChIKey is GFWLKOZEBKMTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6INO/c1-3-5(7(9,10)11)4(15)2-16-6(3)17-8(12,13)14/h2H,1H3.
What are the key properties of 5-iodo-3-methyl-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
5-iodo-3-methyl-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine has a molecular weight of 371.02 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-methyl-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 134666162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).