2,4-difluoro-3-iodo-6-(trifluoromethoxy)pyridine

C6HF5INO — CID 130094224

IUPAC2,4-difluoro-3-iodo-6-(trifluoromethoxy)pyridine
SMILESFc1cc(OC(F)(F)F)nc(F)c1I
InChIInChI=1S/C6HF5INO/c7-2-1-3(14-6(9,10)11)13-5(8)4(2)12/h1H
InChIKeyDPIGXDRCHMDFAM-UHFFFAOYSA-N
MW324.97 g/mol
LogP2.86
Rot. Bonds1

About 2,4-difluoro-3-iodo-6-(trifluoromethoxy)pyridine

2,4-difluoro-3-iodo-6-(trifluoromethoxy)pyridine (PubChem CID 130094224) has the molecular formula C6HF5INO and a molecular weight of 324.97 g/mol. Its IUPAC name is 2,4-difluoro-3-iodo-6-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2,4-difluoro-3-iodo-6-(trifluoromethoxy)pyridine
PubChem CID130094224
Molecular FormulaC6HF5INO
Molecular Weight324.97 g/mol
Exact Mass324.90
IUPAC Name2,4-difluoro-3-iodo-6-(trifluoromethoxy)pyridine
SMILESFc1cc(OC(F)(F)F)nc(F)c1I
InChIInChI=1S/C6HF5INO/c7-2-1-3(14-6(9,10)11)13-5(8)4(2)12/h1H
InChIKeyDPIGXDRCHMDFAM-UHFFFAOYSA-N
XLogP2.86
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.97
LogP ≤ 52.86
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

4-(difluoromethyl)-2-fluoro-3-iodo-6-(trifluoromethoxy)pyridine
CID 118812829
2-fluoro-3-iodo-6-(trifluoromethoxy)pyridine
CID 130091976
3,4-difluoro-6-(trifluoromethoxy)pyridin-2-amine
CID 130094119
2-chloro-4-fluoro-6-(trifluoromethoxy)pyridin-3-ol
CID 130785777
3-(aminomethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine
CID 131601200
4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridin-2-amine
CID 119006806
3-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridin-4-amine
CID 118823425
[2-iodo-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 130092413
2,4-diiodo-6-(trifluoromethoxy)pyridin-3-amine
CID 131214175
2-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)pyridin-3-ol
CID 118799496
4-(difluoromethyl)-3-fluoro-2-iodo-6-(trifluoromethoxy)pyridine
CID 118851432
4-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 118828825

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-iodo-6-(trifluoromethoxy)pyridine?
The IUPAC name of 2,4-difluoro-3-iodo-6-(trifluoromethoxy)pyridine (CID 130094224) is 2,4-difluoro-3-iodo-6-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2,4-difluoro-3-iodo-6-(trifluoromethoxy)pyridine?
The canonical SMILES for 2,4-difluoro-3-iodo-6-(trifluoromethoxy)pyridine is Fc1cc(OC(F)(F)F)nc(F)c1I.
What is the InChIKey of 2,4-difluoro-3-iodo-6-(trifluoromethoxy)pyridine?
The InChIKey is DPIGXDRCHMDFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF5INO/c7-2-1-3(14-6(9,10)11)13-5(8)4(2)12/h1H.
What are the key properties of 2,4-difluoro-3-iodo-6-(trifluoromethoxy)pyridine?
2,4-difluoro-3-iodo-6-(trifluoromethoxy)pyridine has a molecular weight of 324.97 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-iodo-6-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130094224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).