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

C8H2F8INO — CID 134665599

IUPAC3-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
SMILESFC(F)c1c(C(F)(F)F)ncc(OC(F)(F)F)c1I
InChIInChI=1S/C8H2F8INO/c9-6(10)3-4(17)2(19-8(14,15)16)1-18-5(3)7(11,12)13/h1,6H
InChIKeyAIUQQENKYUBUPV-UHFFFAOYSA-N
MW407.00 g/mol
LogP4.54
Rot. Bonds2

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

3-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine (PubChem CID 134665599) has the molecular formula C8H2F8INO and a molecular weight of 407.00 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
PubChem CID134665599
Molecular FormulaC8H2F8INO
Molecular Weight407.00 g/mol
Exact Mass406.91
IUPAC Name3-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
SMILESFC(F)c1c(C(F)(F)F)ncc(OC(F)(F)F)c1I
InChIInChI=1S/C8H2F8INO/c9-6(10)3-4(17)2(19-8(14,15)16)1-18-5(3)7(11,12)13/h1,6H
InChIKeyAIUQQENKYUBUPV-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

4-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 118839758
4-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118828504
[2-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118837393
[3-(difluoromethyl)-4-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118853765
3-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridin-2-amine
CID 119021668
5-(difluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134667776
2-[3-(difluoromethyl)-2-iodo-5-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 134668097
4-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 119015246
3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)pyridine-4-carbaldehyde
CID 130087741
2-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-4-amine
CID 118811897
4-(difluoromethyl)-5-methoxy-3-methyl-2-(trifluoromethoxy)pyridine
CID 134660494
4-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118817666

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine (CID 134665599) is 3-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine is FC(F)c1c(C(F)(F)F)ncc(OC(F)(F)F)c1I.
What is the InChIKey of 3-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
The InChIKey is AIUQQENKYUBUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F8INO/c9-6(10)3-4(17)2(19-8(14,15)16)1-18-5(3)7(11,12)13/h1,6H.
What are the key properties of 3-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
3-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)-2-(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 3-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 134665599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).