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

C8H2F8INO — CID 134681322

IUPAC2-(difluoromethyl)-3-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
SMILESFC(F)c1nc(C(F)(F)F)cc(OC(F)(F)F)c1I
InChIInChI=1S/C8H2F8INO/c9-6(10)5-4(17)2(19-8(14,15)16)1-3(18-5)7(11,12)13/h1,6H
InChIKeyPBZXFZLXZRIKNZ-UHFFFAOYSA-N
MW407.00 g/mol
LogP4.54
Rot. Bonds2

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

2-(difluoromethyl)-3-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine (PubChem CID 134681322) has the molecular formula C8H2F8INO and a molecular weight of 407.00 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-3-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
PubChem CID134681322
Molecular FormulaC8H2F8INO
Molecular Weight407.00 g/mol
Exact Mass406.91
IUPAC Name2-(difluoromethyl)-3-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
SMILESFC(F)c1nc(C(F)(F)F)cc(OC(F)(F)F)c1I
InChIInChI=1S/C8H2F8INO/c9-6(10)5-4(17)2(19-8(14,15)16)1-3(18-5)7(11,12)13/h1,6H
InChIKeyPBZXFZLXZRIKNZ-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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[2-(difluoromethyl)-3-iodo-6-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130086828
2-(difluoromethyl)-4-iodo-3-methoxy-6-(trifluoromethyl)pyridine
CID 118809295
3-(difluoromethyl)-2-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134665221
2-(bromomethyl)-6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine
CID 118838243
2-(difluoromethyl)-4-iodo-6-(trifluoromethyl)pyridin-3-amine
CID 130105387
2-(difluoromethyl)-4-iodo-6-(trifluoromethyl)pyridin-3-ol
CID 118831592
3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 119011943
2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134670039
[6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118826147
6-(difluoromethyl)-3-iodo-2-methyl-4-(trifluoromethoxy)pyridine
CID 130112855
3-bromo-2-(difluoromethyl)-4-methoxy-6-(trifluoromethyl)pyridine
CID 130068827
2-(difluoromethyl)-4-methoxy-6-(trifluoromethyl)pyridin-3-amine
CID 130106010

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-(difluoromethyl)-3-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine (CID 134681322) is 2-(difluoromethyl)-3-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(difluoromethyl)-3-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(difluoromethyl)-3-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine is FC(F)c1nc(C(F)(F)F)cc(OC(F)(F)F)c1I.
What is the InChIKey of 2-(difluoromethyl)-3-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
The InChIKey is PBZXFZLXZRIKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F8INO/c9-6(10)5-4(17)2(19-8(14,15)16)1-3(18-5)7(11,12)13/h1,6H.
What are the key properties of 2-(difluoromethyl)-3-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
2-(difluoromethyl)-3-iodo-4-(trifluoromethoxy)-6-(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 2-(difluoromethyl)-3-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 134681322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).