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

C8H2F8INO — CID 134681331

IUPAC6-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
SMILESFC(F)c1cc(OC(F)(F)F)c(C(F)(F)F)c(I)n1
InChIInChI=1S/C8H2F8INO/c9-5(10)2-1-3(19-8(14,15)16)4(6(17)18-2)7(11,12)13/h1,5H
InChIKeyOKAYFBGDRZFWGI-UHFFFAOYSA-N
MW407.00 g/mol
LogP4.54
Rot. Bonds2

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

6-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine (PubChem CID 134681331) has the molecular formula C8H2F8INO and a molecular weight of 407.00 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name6-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
PubChem CID134681331
Molecular FormulaC8H2F8INO
Molecular Weight407.00 g/mol
Exact Mass406.91
IUPAC Name6-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
SMILESFC(F)c1cc(OC(F)(F)F)c(C(F)(F)F)c(I)n1
InChIInChI=1S/C8H2F8INO/c9-5(10)2-1-3(19-8(14,15)16)4(6(17)18-2)7(11,12)13/h1,5H
InChIKeyOKAYFBGDRZFWGI-UHFFFAOYSA-N
XLogP4.54
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.00
LogP ≤ 54.54
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

6-chloro-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 133087757
6-(difluoromethyl)-3-iodo-2-methyl-4-(trifluoromethoxy)pyridine
CID 130112855
2-[6-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134670201
6-(difluoromethyl)-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-ol
CID 134663177
4-(bromomethyl)-6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
CID 134660867
6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134666314
6-(bromomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134670040
3-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridin-2-amine
CID 119022211
2-amino-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119001123
2-(difluoromethyl)-3-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134681322
6-iodo-2-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 129319241
5-(difluoromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine
CID 134666852

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
The IUPAC name of 6-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine (CID 134681331) is 6-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 6-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 6-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine is FC(F)c1cc(OC(F)(F)F)c(C(F)(F)F)c(I)n1.
What is the InChIKey of 6-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
The InChIKey is OKAYFBGDRZFWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F8INO/c9-5(10)2-1-3(19-8(14,15)16)4(6(17)18-2)7(11,12)13/h1,5H.
What are the key properties of 6-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
6-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine has a molecular weight of 407.00 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 134681331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).